N-[(4S)-azepan-4-yl]benzamide

C13H18N2O — CID 146196053

IUPACN-[(4S)-azepan-4-yl]benzamide
SMILESO=C(N[C@H]1CCCNCC1)c1ccccc1
InChIInChI=1S/C13H18N2O/c16-13(11-5-2-1-3-6-11)15-12-7-4-9-14-10-8-12/h1-3,5-6,12,14H,4,7-10H2,(H,15,16)/t12-/m0/s1
InChIKeyQLLREUIHTKXQJG-LBPRGKRZSA-N
MW218.30 g/mol
LogP1.56
Rot. Bonds2

About N-[(4S)-azepan-4-yl]benzamide

N-[(4S)-azepan-4-yl]benzamide (PubChem CID 146196053) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[(4S)-azepan-4-yl]benzamide.

Molecular Properties

Compound NameN-[(4S)-azepan-4-yl]benzamide
PubChem CID146196053
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-[(4S)-azepan-4-yl]benzamide
SMILESO=C(N[C@H]1CCCNCC1)c1ccccc1
InChIInChI=1S/C13H18N2O/c16-13(11-5-2-1-3-6-11)15-12-7-4-9-14-10-8-12/h1-3,5-6,12,14H,4,7-10H2,(H,15,16)/t12-/m0/s1
InChIKeyQLLREUIHTKXQJG-LBPRGKRZSA-N
XLogP1.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-piperidin-3-ylbenzamide
CID 22017045
N-(piperidin-4-ylcarbamoyl)benzamide
CID 12608582
N-(azepan-4-yl)-4-methylsulfonylbenzamide
CID 105059657
N-(azepan-4-yl)-2,6-dihydroxybenzamide
CID 107690520
2-benzamido-N-piperidin-4-ylbenzamide
CID 119388442
N-piperidin-4-yl-4-sulfanylbenzamide
CID 107023949
3-phenoxy-N-piperidin-4-ylbenzamide
CID 71730778
N-(4-cyclohexylcyclooctyl)benzamide
CID 166761299
4-amino-N-[(3S)-piperidin-3-yl]benzamide
CID 89225185
3-(azepan-4-ylamino)benzoic acid
CID 103980877
N-(azepan-4-yl)-4-bromo-3-fluorobenzamide
CID 105059141
N-(azepan-4-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 105060018

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-azepan-4-yl]benzamide?
The IUPAC name of N-[(4S)-azepan-4-yl]benzamide (CID 146196053) is N-[(4S)-azepan-4-yl]benzamide.
What is the SMILES notation for N-[(4S)-azepan-4-yl]benzamide?
The canonical SMILES for N-[(4S)-azepan-4-yl]benzamide is O=C(N[C@H]1CCCNCC1)c1ccccc1.
What is the InChIKey of N-[(4S)-azepan-4-yl]benzamide?
The InChIKey is QLLREUIHTKXQJG-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N2O/c16-13(11-5-2-1-3-6-11)15-12-7-4-9-14-10-8-12/h1-3,5-6,12,14H,4,7-10H2,(H,15,16)/t12-/m0/s1.
What are the key properties of N-[(4S)-azepan-4-yl]benzamide?
N-[(4S)-azepan-4-yl]benzamide has a molecular weight of 218.30 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-azepan-4-yl]benzamide is sourced from PubChem (CID 146196053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).