(3R,4R)-4-amino-1-butan-2-yl-N-methylpiperidine-3-carboxamide

C11H23N3O — CID 134267241

IUPAC(3R,4R)-4-amino-1-butan-2-yl-N-methylpiperidine-3-carboxamide
SMILESCCC(C)N1CC[C@@H](N)[C@H](C(=O)NC)C1
InChIInChI=1S/C11H23N3O/c1-4-8(2)14-6-5-10(12)9(7-14)11(15)13-3/h8-10H,4-7,12H2,1-3H3,(H,13,15)/t8?,9-,10-/m1/s1
InChIKeyBSTSXPLRPNIXLM-VXRWAFEHSA-N
MW213.32 g/mol
LogP0.18
Rot. Bonds3

About (3R,4R)-4-amino-1-butan-2-yl-N-methylpiperidine-3-carboxamide

(3R,4R)-4-amino-1-butan-2-yl-N-methylpiperidine-3-carboxamide (PubChem CID 134267241) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is (3R,4R)-4-amino-1-butan-2-yl-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-4-amino-1-butan-2-yl-N-methylpiperidine-3-carboxamide
PubChem CID134267241
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name(3R,4R)-4-amino-1-butan-2-yl-N-methylpiperidine-3-carboxamide
SMILESCCC(C)N1CC[C@@H](N)[C@H](C(=O)NC)C1
InChIInChI=1S/C11H23N3O/c1-4-8(2)14-6-5-10(12)9(7-14)11(15)13-3/h8-10H,4-7,12H2,1-3H3,(H,13,15)/t8?,9-,10-/m1/s1
InChIKeyBSTSXPLRPNIXLM-VXRWAFEHSA-N
XLogP0.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-amino-1-butan-2-yl-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R,4R)-4-amino-1-butan-2-yl-N-methylpiperidine-3-carboxamide (CID 134267241) is (3R,4R)-4-amino-1-butan-2-yl-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-4-amino-1-butan-2-yl-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R,4R)-4-amino-1-butan-2-yl-N-methylpiperidine-3-carboxamide is CCC(C)N1CC[C@@H](N)[C@H](C(=O)NC)C1.
What is the InChIKey of (3R,4R)-4-amino-1-butan-2-yl-N-methylpiperidine-3-carboxamide?
The InChIKey is BSTSXPLRPNIXLM-VXRWAFEHSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-8(2)14-6-5-10(12)9(7-14)11(15)13-3/h8-10H,4-7,12H2,1-3H3,(H,13,15)/t8?,9-,10-/m1/s1.
What are the key properties of (3R,4R)-4-amino-1-butan-2-yl-N-methylpiperidine-3-carboxamide?
(3R,4R)-4-amino-1-butan-2-yl-N-methylpiperidine-3-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-amino-1-butan-2-yl-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 134267241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).