2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide

C17H31N3O — CID 97080531

IUPAC2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
SMILESO=C(CN1CCC[C@@H](N2CCCCCC2)C1)NCC1CC1
InChIInChI=1S/C17H31N3O/c21-17(18-12-15-7-8-15)14-19-9-5-6-16(13-19)20-10-3-1-2-4-11-20/h15-16H,1-14H2,(H,18,21)/t16-/m1/s1
InChIKeyYKEKDIBQOIVTKH-MRXNPFEDSA-N
MW293.45 g/mol
LogP1.85
Rot. Bonds5

About 2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide

2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide (PubChem CID 97080531) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
PubChem CID97080531
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
SMILESO=C(CN1CCC[C@@H](N2CCCCCC2)C1)NCC1CC1
InChIInChI=1S/C17H31N3O/c21-17(18-12-15-7-8-15)14-19-9-5-6-16(13-19)20-10-3-1-2-4-11-20/h15-16H,1-14H2,(H,18,21)/t16-/m1/s1
InChIKeyYKEKDIBQOIVTKH-MRXNPFEDSA-N
XLogP1.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 95354060
N-cyclopropyl-2-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]acetamide
CID 95576047
ethyl (3S)-1-[2-(cyclopropylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 81339366
ethyl (3R)-1-[2-(cyclopropylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 81339277
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 63845041
2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-cyclopropylacetamide
CID 51618982
2-(3-acetamidopiperidin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 75461490
2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N,N-diethylacetamide
CID 95616410
N-(cyclobutylmethyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111334071
1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907812
2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
CID 95324163
N-(cyclopropylmethyl)-2-(3-ethyl-4-hydroxypiperidin-1-yl)acetamide
CID 114510904

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide (CID 97080531) is 2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide is O=C(CN1CCC[C@@H](N2CCCCCC2)C1)NCC1CC1.
What is the InChIKey of 2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide?
The InChIKey is YKEKDIBQOIVTKH-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H31N3O/c21-17(18-12-15-7-8-15)14-19-9-5-6-16(13-19)20-10-3-1-2-4-11-20/h15-16H,1-14H2,(H,18,21)/t16-/m1/s1.
What are the key properties of 2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide?
2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide has a molecular weight of 293.45 g/mol, XLogP of 1.85, 5 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-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 97080531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).