2-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide

C13H27N3O2 — CID 143215220

IUPAC2-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
SMILESCNC[C@H](C1CCCCN1C(N)=O)[C@@H](O)C(C)C
InChIInChI=1S/C13H27N3O2/c1-9(2)12(17)10(8-15-3)11-6-4-5-7-16(11)13(14)18/h9-12,15,17H,4-8H2,1-3H3,(H2,14,18)/t10-,11?,12+/m1/s1
InChIKeyBPHHCYPJEWJWBQ-LWALXPGCSA-N
MW257.38 g/mol
LogP0.77
Rot. Bonds5

About 2-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide

2-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide (PubChem CID 143215220) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
PubChem CID143215220
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
SMILESCNC[C@H](C1CCCCN1C(N)=O)[C@@H](O)C(C)C
InChIInChI=1S/C13H27N3O2/c1-9(2)12(17)10(8-15-3)11-6-4-5-7-16(11)13(14)18/h9-12,15,17H,4-8H2,1-3H3,(H2,14,18)/t10-,11?,12+/m1/s1
InChIKeyBPHHCYPJEWJWBQ-LWALXPGCSA-N
XLogP0.77
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 2-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide (CID 143215220) is 2-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 2-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 2-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide is CNC[C@H](C1CCCCN1C(N)=O)[C@@H](O)C(C)C.
What is the InChIKey of 2-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide?
The InChIKey is BPHHCYPJEWJWBQ-LWALXPGCSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-9(2)12(17)10(8-15-3)11-6-4-5-7-16(11)13(14)18/h9-12,15,17H,4-8H2,1-3H3,(H2,14,18)/t10-,11?,12+/m1/s1.
What are the key properties of 2-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide?
2-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide has a molecular weight of 257.38 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 143215220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).