3-(azepan-1-ylmethyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide

C19H27N3O2 — CID 124752306

IUPAC3-(azepan-1-ylmethyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCCNC1=O)c1cccc(CN2CCCCCC2)c1
InChIInChI=1S/C19H27N3O2/c23-18(21-17-9-6-10-20-19(17)24)16-8-5-7-15(13-16)14-22-11-3-1-2-4-12-22/h5,7-8,13,17H,1-4,6,9-12,14H2,(H,20,24)(H,21,23)/t17-/m0/s1
InChIKeyJFDNYLPAKUWRFI-KRWDZBQOSA-N
MW329.44 g/mol
LogP2.07
Rot. Bonds4

About 3-(azepan-1-ylmethyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide

3-(azepan-1-ylmethyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide (PubChem CID 124752306) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-(azepan-1-ylmethyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-(azepan-1-ylmethyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide
PubChem CID124752306
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-(azepan-1-ylmethyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCCNC1=O)c1cccc(CN2CCCCCC2)c1
InChIInChI=1S/C19H27N3O2/c23-18(21-17-9-6-10-20-19(17)24)16-8-5-7-15(13-16)14-22-11-3-1-2-4-12-22/h5,7-8,13,17H,1-4,6,9-12,14H2,(H,20,24)(H,21,23)/t17-/m0/s1
InChIKeyJFDNYLPAKUWRFI-KRWDZBQOSA-N
XLogP2.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepan-1-ylmethyl)benzoic acid;hydrochloride
CID 138113123
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
N-(2-oxoazepan-3-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131897507
4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391
3-(diethylsulfamoyl)-N-(2-oxopiperidin-3-yl)benzamide
CID 51128604
2-[(3-fluorophenyl)methyl]-N-[(3R)-2-oxopiperidin-3-yl]pyridine-4-carboxamide
CID 125017627
3-methoxy-N-(2-oxoazepan-3-yl)benzamide
CID 15069514
N-[(4S)-6-bromo-3,4-dihydro-2H-chromen-4-yl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 52533059
3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
3-[[[3-(azepan-1-ylmethyl)phenyl]methylamino]methyl]benzoic acid
CID 122030822
2-(3-aminophenyl)-N-(2-oxopiperidin-3-yl)acetamide
CID 62498386
4-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 3531239

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylmethyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide?
The IUPAC name of 3-(azepan-1-ylmethyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide (CID 124752306) is 3-(azepan-1-ylmethyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide.
What is the SMILES notation for 3-(azepan-1-ylmethyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide?
The canonical SMILES for 3-(azepan-1-ylmethyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide is O=C(N[C@H]1CCCNC1=O)c1cccc(CN2CCCCCC2)c1.
What is the InChIKey of 3-(azepan-1-ylmethyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide?
The InChIKey is JFDNYLPAKUWRFI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-18(21-17-9-6-10-20-19(17)24)16-8-5-7-15(13-16)14-22-11-3-1-2-4-12-22/h5,7-8,13,17H,1-4,6,9-12,14H2,(H,20,24)(H,21,23)/t17-/m0/s1.
What are the key properties of 3-(azepan-1-ylmethyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide?
3-(azepan-1-ylmethyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide has a molecular weight of 329.44 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-ylmethyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide is sourced from PubChem (CID 124752306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).