2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-propan-2-ylacetamide

C16H31N3O — CID 95354060

IUPAC2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC[C@@H](N2CCCCCC2)C1
InChIInChI=1S/C16H31N3O/c1-14(2)17-16(20)13-18-9-7-8-15(12-18)19-10-5-3-4-6-11-19/h14-15H,3-13H2,1-2H3,(H,17,20)/t15-/m1/s1
InChIKeyFIMNIDUSLAXWEA-OAHLLOKOSA-N
MW281.44 g/mol
LogP1.85
Rot. Bonds4

About 2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-propan-2-ylacetamide

2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 95354060) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-propan-2-ylacetamide
PubChem CID95354060
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC[C@@H](N2CCCCCC2)C1
InChIInChI=1S/C16H31N3O/c1-14(2)17-16(20)13-18-9-7-8-15(12-18)19-10-5-3-4-6-11-19/h14-15H,3-13H2,1-2H3,(H,17,20)/t15-/m1/s1
InChIKeyFIMNIDUSLAXWEA-OAHLLOKOSA-N
XLogP1.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 95301456
(3S)-1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 39247341
N-cyclopropyl-2-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]acetamide
CID 95576047
2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 97080531
2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
CID 95324163
2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N,N-diethylacetamide
CID 95616410
2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide;2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 142390323
2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-cyclopropylacetamide
CID 51618982
2-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 95297143
1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 43385895
N-propan-2-yl-2-[(3S)-3-(2-propan-2-yloxyethyl)piperidin-1-yl]acetamide
CID 170372113
2-(4-hydroxypiperidin-1-yl)-N-propan-2-ylacetamide
CID 20770430

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-propan-2-ylacetamide (CID 95354060) is 2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCC[C@@H](N2CCCCCC2)C1.
What is the InChIKey of 2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is FIMNIDUSLAXWEA-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H31N3O/c1-14(2)17-16(20)13-18-9-7-8-15(12-18)19-10-5-3-4-6-11-19/h14-15H,3-13H2,1-2H3,(H,17,20)/t15-/m1/s1.
What are the key properties of 2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-propan-2-ylacetamide?
2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 281.44 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 95354060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).