N-[(2S)-butan-2-yl]-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide

C24H31N3O2 — CID 41454477

IUPACN-[(2S)-butan-2-yl]-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
SMILESCC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C24H31N3O2/c1-3-18(2)25-24(29)21-9-5-6-10-22(21)26-23(28)20-13-11-19(12-14-20)17-27-15-7-4-8-16-27/h5-6,9-14,18H,3-4,7-8,15-17H2,1-2H3,(H,25,29)(H,26,28)/t18-/m0/s1
InChIKeyNICMHMPKJFSBCD-SFHVURJKSA-N
MW393.53 g/mol
LogP4.45
Rot. Bonds7

About N-[(2S)-butan-2-yl]-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide

N-[(2S)-butan-2-yl]-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide (PubChem CID 41454477) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
PubChem CID41454477
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[(2S)-butan-2-yl]-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
SMILESCC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C24H31N3O2/c1-3-18(2)25-24(29)21-9-5-6-10-22(21)26-23(28)20-13-11-19(12-14-20)17-27-15-7-4-8-16-27/h5-6,9-14,18H,3-4,7-8,15-17H2,1-2H3,(H,25,29)(H,26,28)/t18-/m0/s1
InChIKeyNICMHMPKJFSBCD-SFHVURJKSA-N
XLogP4.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-N-propan-2-ylbenzamide
CID 41465528
N-butan-2-yl-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide
CID 3259740
4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide
CID 43919325
N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2943228
N-[(2R)-butan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide
CID 893770
N-butan-2-yl-2-[(4-methylbenzoyl)amino]benzamide
CID 2942993
N-propan-2-yl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
CID 60560652
N-[(2R)-butan-2-yl]-2-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzamide
CID 93492375
3-(azepan-1-ylsulfonyl)-N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-4-chlorobenzamide
CID 41032131
2-[[4-(azepan-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 38100664
4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide
CID 43920267
N-[(2S)-4-phenylbutan-2-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 41453775

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide (CID 41454477) is N-[(2S)-butan-2-yl]-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide is CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide?
The InChIKey is NICMHMPKJFSBCD-SFHVURJKSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-3-18(2)25-24(29)21-9-5-6-10-22(21)26-23(28)20-13-11-19(12-14-20)17-27-15-7-4-8-16-27/h5-6,9-14,18H,3-4,7-8,15-17H2,1-2H3,(H,25,29)(H,26,28)/t18-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide?
N-[(2S)-butan-2-yl]-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide has a molecular weight of 393.53 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 41454477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).