N-(4-amino-4-oxobutan-2-yl)-3-methylpiperidine-1-carboxamide

C11H21N3O2 — CID 116657977

IUPACN-(4-amino-4-oxobutan-2-yl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NC(C)CC(N)=O)C1
InChIInChI=1S/C11H21N3O2/c1-8-4-3-5-14(7-8)11(16)13-9(2)6-10(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)(H,13,16)
InChIKeyTXBYSHNEJUQXJW-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.69
Rot. Bonds3

About N-(4-amino-4-oxobutan-2-yl)-3-methylpiperidine-1-carboxamide

N-(4-amino-4-oxobutan-2-yl)-3-methylpiperidine-1-carboxamide (PubChem CID 116657977) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(4-amino-4-oxobutan-2-yl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutan-2-yl)-3-methylpiperidine-1-carboxamide
PubChem CID116657977
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-(4-amino-4-oxobutan-2-yl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NC(C)CC(N)=O)C1
InChIInChI=1S/C11H21N3O2/c1-8-4-3-5-14(7-8)11(16)13-9(2)6-10(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)(H,13,16)
InChIKeyTXBYSHNEJUQXJW-UHFFFAOYSA-N
XLogP0.69
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide
CID 115760637
N-hexan-2-yl-3-methylpiperidine-1-carboxamide
CID 116655502
3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577941
(3S)-3-methyl-N-[(2S)-4-methylsulfonylbutan-2-yl]piperidine-1-carboxamide
CID 97108959
N-(4-amino-4-oxobutan-2-yl)morpholine-4-carboxamide
CID 115665185
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-3-methylpiperidine-1-carboxamide
CID 79159951
N-[5-(diethylamino)pentan-2-yl]-3-methylpiperidine-1-carboxamide
CID 116653952
N-(4-amino-4-oxobutyl)-3-methylpiperidine-1-carboxamide
CID 115584144
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonylamino)butanoic acid
CID 55165606
3-[(3-methoxypiperidine-1-carbonyl)amino]butanoic acid
CID 102962940
3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115583842
3-[(3-aminopyrrolidine-1-carbonyl)amino]butanoic acid
CID 62067755

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutan-2-yl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(4-amino-4-oxobutan-2-yl)-3-methylpiperidine-1-carboxamide (CID 116657977) is N-(4-amino-4-oxobutan-2-yl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-amino-4-oxobutan-2-yl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-amino-4-oxobutan-2-yl)-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)NC(C)CC(N)=O)C1.
What is the InChIKey of N-(4-amino-4-oxobutan-2-yl)-3-methylpiperidine-1-carboxamide?
The InChIKey is TXBYSHNEJUQXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8-4-3-5-14(7-8)11(16)13-9(2)6-10(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)(H,13,16).
What are the key properties of N-(4-amino-4-oxobutan-2-yl)-3-methylpiperidine-1-carboxamide?
N-(4-amino-4-oxobutan-2-yl)-3-methylpiperidine-1-carboxamide has a molecular weight of 227.31 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutan-2-yl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 116657977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).