N-[2-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methylbenzamide

C27H28N2O2 — CID 577225

IUPACN-[2-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C27H28N2O2/c1-20-11-13-23(14-12-20)26(30)28-25-10-6-5-9-24(25)27(31)29-17-15-22(16-18-29)19-21-7-3-2-4-8-21/h2-14,22H,15-19H2,1H3,(H,28,30)
InChIKeyGVSLVRLFKGSYTJ-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.34
Rot. Bonds5

About N-[2-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methylbenzamide

N-[2-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methylbenzamide (PubChem CID 577225) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methylbenzamide
PubChem CID577225
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC NameN-[2-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C27H28N2O2/c1-20-11-13-23(14-12-20)26(30)28-25-10-6-5-9-24(25)27(31)29-17-15-22(16-18-29)19-21-7-3-2-4-8-21/h2-14,22H,15-19H2,1H3,(H,28,30)
InChIKeyGVSLVRLFKGSYTJ-UHFFFAOYSA-N
XLogP5.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 566959
N-[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-4-methylbenzamide
CID 4048530
N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119545134
N-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide
CID 119540740
N-[2-[4-(aminomethyl)piperidine-1-carbonyl]phenyl]-4-chlorobenzamide
CID 119422864
4-methoxy-N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119546723
4-[(4-benzylpiperidin-1-yl)methyl]-N-(2,4-dimethylphenyl)benzamide
CID 1364318
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
N-[2-(4-benzoylpiperazine-1-carbonyl)phenyl]benzamide
CID 32904614
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(3-amino-2-methylphenyl)-(4-benzylpiperidin-1-yl)methanone
CID 28723214
ethyl 4-[2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]benzoyl]piperazine-1-carboxylate
CID 17119641

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methylbenzamide?
The IUPAC name of N-[2-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methylbenzamide (CID 577225) is N-[2-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methylbenzamide?
The InChIKey is GVSLVRLFKGSYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-20-11-13-23(14-12-20)26(30)28-25-10-6-5-9-24(25)27(31)29-17-15-22(16-18-29)19-21-7-3-2-4-8-21/h2-14,22H,15-19H2,1H3,(H,28,30).
What are the key properties of N-[2-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methylbenzamide?
N-[2-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methylbenzamide has a molecular weight of 412.53 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 577225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).