(2S)-2-amino-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide

C14H27N3O2 — CID 61180719

IUPAC(2S)-2-amino-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NC(C)C(=O)N1CCCCC1
InChIInChI=1S/C14H27N3O2/c1-10(2)9-12(15)13(18)16-11(3)14(19)17-7-5-4-6-8-17/h10-12H,4-9,15H2,1-3H3,(H,16,18)/t11?,12-/m0/s1
InChIKeyFIFPMKZDCCMSBG-KIYNQFGBSA-N
MW269.39 g/mol
LogP0.88
Rot. Bonds5

About (2S)-2-amino-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide

(2S)-2-amino-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide (PubChem CID 61180719) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide
PubChem CID61180719
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name(2S)-2-amino-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NC(C)C(=O)N1CCCCC1
InChIInChI=1S/C14H27N3O2/c1-10(2)9-12(15)13(18)16-11(3)14(19)17-7-5-4-6-8-17/h10-12H,4-9,15H2,1-3H3,(H,16,18)/t11?,12-/m0/s1
InChIKeyFIFPMKZDCCMSBG-KIYNQFGBSA-N
XLogP0.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide;hydrochloride
CID 119292063
2-amino-3-methoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride
CID 120986585
(2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one
CID 22690990
2-amino-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 20500850
2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 54863272
(2R)-2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 79013484
2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 110280633
2-ethyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]butanamide
CID 95747727
2-(aminomethyl)-4,4-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide
CID 107471478
2-amino-3,3-dimethyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)butanamide
CID 113288460
2-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 93360859
2-amino-2-(oxan-4-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide;hydrochloride
CID 120792735

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide (CID 61180719) is (2S)-2-amino-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide is CC(C)C[C@H](N)C(=O)NC(C)C(=O)N1CCCCC1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide?
The InChIKey is FIFPMKZDCCMSBG-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-10(2)9-12(15)13(18)16-11(3)14(19)17-7-5-4-6-8-17/h10-12H,4-9,15H2,1-3H3,(H,16,18)/t11?,12-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide?
(2S)-2-amino-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide has a molecular weight of 269.39 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide is sourced from PubChem (CID 61180719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).