2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-N-propan-2-ylbenzamide

C23H29N3O2 — CID 41465528

IUPAC2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C23H29N3O2/c1-17(2)24-23(28)20-8-4-5-9-21(20)25-22(27)19-12-10-18(11-13-19)16-26-14-6-3-7-15-26/h4-5,8-13,17H,3,6-7,14-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyIZWOFUBWNFFYLS-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.06
Rot. Bonds6

About 2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-N-propan-2-ylbenzamide

2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-N-propan-2-ylbenzamide (PubChem CID 41465528) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-N-propan-2-ylbenzamide
PubChem CID41465528
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C23H29N3O2/c1-17(2)24-23(28)20-8-4-5-9-21(20)25-22(27)19-12-10-18(11-13-19)16-26-14-6-3-7-15-26/h4-5,8-13,17H,3,6-7,14-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyIZWOFUBWNFFYLS-UHFFFAOYSA-N
XLogP4.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 41454477
N-propan-2-yl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
CID 60560652
N-butan-2-yl-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide
CID 3259740
4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide
CID 43920267
4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide
CID 43919325
2-[(4-methoxybenzoyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 17418127
2-[[4-(azepan-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 38100664
2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281785
[2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid
CID 135156525
4-(piperidin-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 41453944
N-[2-(azepane-1-carbonyl)phenyl]-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 38099909
N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 133249904

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-N-propan-2-ylbenzamide (CID 41465528) is 2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is IZWOFUBWNFFYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17(2)24-23(28)20-8-4-5-9-21(20)25-22(27)19-12-10-18(11-13-19)16-26-14-6-3-7-15-26/h4-5,8-13,17H,3,6-7,14-16H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-N-propan-2-ylbenzamide?
2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 379.50 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 41465528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).