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

C13H27N3O2 — CID 143215183

IUPACN-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
SMILESCNC[C@@H](NC(=O)N1CCCCC1)[C@@H](O)C(C)C
InChIInChI=1S/C13H27N3O2/c1-10(2)12(17)11(9-14-3)15-13(18)16-7-5-4-6-8-16/h10-12,14,17H,4-9H2,1-3H3,(H,15,18)/t11-,12+/m1/s1
InChIKeyKVLRAPFHUNDRLU-NEPJUHHUSA-N
MW257.38 g/mol
LogP0.79
Rot. Bonds5

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

N-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide (PubChem CID 143215183) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
PubChem CID143215183
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
SMILESCNC[C@@H](NC(=O)N1CCCCC1)[C@@H](O)C(C)C
InChIInChI=1S/C13H27N3O2/c1-10(2)12(17)11(9-14-3)15-13(18)16-7-5-4-6-8-16/h10-12,14,17H,4-9H2,1-3H3,(H,15,18)/t11-,12+/m1/s1
InChIKeyKVLRAPFHUNDRLU-NEPJUHHUSA-N
XLogP0.79
TPSA64.60 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 ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide (CID 143215183) is N-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide is CNC[C@@H](NC(=O)N1CCCCC1)[C@@H](O)C(C)C.
What is the InChIKey of N-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide?
The InChIKey is KVLRAPFHUNDRLU-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-10(2)12(17)11(9-14-3)15-13(18)16-7-5-4-6-8-16/h10-12,14,17H,4-9H2,1-3H3,(H,15,18)/t11-,12+/m1/s1.
What are the key properties of N-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide?
N-[(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 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 143215183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).