(2S)-N-tert-butyl-1-methylpiperidine-2-carboxamide;(2S,3S,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3S,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide

C67H134N10O5 — CID 160847704

IUPAC(2S)-N-tert-butyl-1-methylpiperidine-2-carboxamide;(2S,3S,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3S,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide
SMILESCN1CCCC[C@H]1C(=O)NC(C)(C)C.C[C@@H]1[C@H](C)[C@@H](C)CN(C)[C@@H]1C(=O)NC(C)(C)C.C[C@@H]1[C@H](C)[C@H](C)CN(C)[C@@H]1C(=O)NC(C)(C)C.C[C@H]1[C@H](C)[C@@H](C(=O)NC(C)(C)C)N(C)C[C@H]1C.C[C@H]1[C@H](C)[C@@H](C)CN(C)[C@@H]1C(=O)NC(C)(C)C
InChIInChI=1S/4C14H28N2O.C11H22N2O/c4*1-9-8-16(7)12(11(3)10(9)2)13(17)15-14(4,5)6;1-11(2,3)12-10(14)9-7-5-6-8-13(9)4/h4*9-12H,8H2,1-7H3,(H,15,17);9H,5-8H2,1-4H3,(H,12,14)/t9-,10+,11+,12-;9-,10+,11-,12-;9-,10-,11+,12+;9-,10-,11-,12+;9-/m00110/s1
InChIKeySIVXDBMMWUVNHM-HOEKTGCFSA-N
MW1159.87 g/mol
LogP9.88
Rot. Bonds5

About (2S)-N-tert-butyl-1-methylpiperidine-2-carboxamide;(2S,3S,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3S,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide

(2S)-N-tert-butyl-1-methylpiperidine-2-carboxamide;(2S,3S,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3S,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide (PubChem CID 160847704) has the molecular formula C67H134N10O5 and a molecular weight of 1159.87 g/mol. Its IUPAC name is (2S)-N-tert-butyl-1-methylpiperidine-2-carboxamide;(2S,3S,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3S,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-1-methylpiperidine-2-carboxamide;(2S,3S,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3S,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide
PubChem CID160847704
Molecular FormulaC67H134N10O5
Molecular Weight1159.87 g/mol
Exact Mass1159.05
IUPAC Name(2S)-N-tert-butyl-1-methylpiperidine-2-carboxamide;(2S,3S,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3S,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide
SMILESCN1CCCC[C@H]1C(=O)NC(C)(C)C.C[C@@H]1[C@H](C)[C@@H](C)CN(C)[C@@H]1C(=O)NC(C)(C)C.C[C@@H]1[C@H](C)[C@H](C)CN(C)[C@@H]1C(=O)NC(C)(C)C.C[C@H]1[C@H](C)[C@@H](C(=O)NC(C)(C)C)N(C)C[C@H]1C.C[C@H]1[C@H](C)[C@@H](C)CN(C)[C@@H]1C(=O)NC(C)(C)C
InChIInChI=1S/4C14H28N2O.C11H22N2O/c4*1-9-8-16(7)12(11(3)10(9)2)13(17)15-14(4,5)6;1-11(2,3)12-10(14)9-7-5-6-8-13(9)4/h4*9-12H,8H2,1-7H3,(H,15,17);9H,5-8H2,1-4H3,(H,12,14)/t9-,10+,11+,12-;9-,10+,11-,12-;9-,10-,11+,12+;9-,10-,11-,12+;9-/m00110/s1
InChIKeySIVXDBMMWUVNHM-HOEKTGCFSA-N
XLogP9.88
TPSA161.70 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms82
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001159.87
LogP ≤ 59.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze (2S)-N-tert-butyl-1-methylpiperidine-2-carboxamide;(2S,3S,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3S,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-1-methylpiperidine-2-carboxamide;(2S,3S,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3S,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-tert-butyl-1-methylpiperidine-2-carboxamide;(2S,3S,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3S,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide (CID 160847704) is (2S)-N-tert-butyl-1-methylpiperidine-2-carboxamide;(2S,3S,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3S,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-tert-butyl-1-methylpiperidine-2-carboxamide;(2S,3S,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3S,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-tert-butyl-1-methylpiperidine-2-carboxamide;(2S,3S,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3S,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide is CN1CCCC[C@H]1C(=O)NC(C)(C)C.C[C@@H]1[C@H](C)[C@@H](C)CN(C)[C@@H]1C(=O)NC(C)(C)C.C[C@@H]1[C@H](C)[C@H](C)CN(C)[C@@H]1C(=O)NC(C)(C)C.C[C@H]1[C@H](C)[C@@H](C(=O)NC(C)(C)C)N(C)C[C@H]1C.C[C@H]1[C@H](C)[C@@H](C)CN(C)[C@@H]1C(=O)NC(C)(C)C.
What is the InChIKey of (2S)-N-tert-butyl-1-methylpiperidine-2-carboxamide;(2S,3S,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3S,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide?
The InChIKey is SIVXDBMMWUVNHM-HOEKTGCFSA-N. The full InChI is InChI=1S/4C14H28N2O.C11H22N2O/c4*1-9-8-16(7)12(11(3)10(9)2)13(17)15-14(4,5)6;1-11(2,3)12-10(14)9-7-5-6-8-13(9)4/h4*9-12H,8H2,1-7H3,(H,15,17);9H,5-8H2,1-4H3,(H,12,14)/t9-,10+,11+,12-;9-,10+,11-,12-;9-,10-,11+,12+;9-,10-,11-,12+;9-/m00110/s1.
What are the key properties of (2S)-N-tert-butyl-1-methylpiperidine-2-carboxamide;(2S,3S,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3S,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide?
(2S)-N-tert-butyl-1-methylpiperidine-2-carboxamide;(2S,3S,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3S,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide has a molecular weight of 1159.87 g/mol, XLogP of 9.88, 5 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-1-methylpiperidine-2-carboxamide;(2S,3S,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3S,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5R)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide;(2S,3R,4R,5S)-N-tert-butyl-1,3,4,5-tetramethylpiperidine-2-carboxamide is sourced from PubChem (CID 160847704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).