N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-methylbenzamide

C30H30N4O2 — CID 56696883

IUPACN-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1c(C(=O)N2CCC(Cc3ccccc3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C30H30N4O2/c1-22-10-8-9-15-26(22)29(35)32-28-27(21-31-34(28)25-13-6-3-7-14-25)30(36)33-18-16-24(17-19-33)20-23-11-4-2-5-12-23/h2-15,21,24H,16-20H2,1H3,(H,32,35)
InChIKeyXVJKTAYUISAORM-UHFFFAOYSA-N
MW478.60 g/mol
LogP5.53
Rot. Bonds6

About N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-methylbenzamide

N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-methylbenzamide (PubChem CID 56696883) has the molecular formula C30H30N4O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-methylbenzamide
PubChem CID56696883
Molecular FormulaC30H30N4O2
Molecular Weight478.60 g/mol
Exact Mass478.24
IUPAC NameN-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1c(C(=O)N2CCC(Cc3ccccc3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C30H30N4O2/c1-22-10-8-9-15-26(22)29(35)32-28-27(21-31-34(28)25-13-6-3-7-14-25)30(36)33-18-16-24(17-19-33)20-23-11-4-2-5-12-23/h2-15,21,24H,16-20H2,1H3,(H,32,35)
InChIKeyXVJKTAYUISAORM-UHFFFAOYSA-N
XLogP5.53
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide
CID 2892347
N-[2-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methylbenzamide
CID 577225
(5-cyclopropyl-1-phenylpyrazol-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119647191
N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide
CID 1350909
(3-amino-2-methylphenyl)-(4-benzylpiperidin-1-yl)methanone
CID 28723214
(4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 84575153
(1-benzyl-5-methylpyrazol-4-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 75440738
(4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 110702375
(5-methyl-1-phenylpyrazol-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90495061
N-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 34424786
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(5-cyclopropyl-1-phenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119541281

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-methylbenzamide?
The IUPAC name of N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-methylbenzamide (CID 56696883) is N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-methylbenzamide.
What is the SMILES notation for N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-methylbenzamide?
The canonical SMILES for N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1c(C(=O)N2CCC(Cc3ccccc3)CC2)cnn1-c1ccccc1.
What is the InChIKey of N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-methylbenzamide?
The InChIKey is XVJKTAYUISAORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2/c1-22-10-8-9-15-26(22)29(35)32-28-27(21-31-34(28)25-13-6-3-7-14-25)30(36)33-18-16-24(17-19-33)20-23-11-4-2-5-12-23/h2-15,21,24H,16-20H2,1H3,(H,32,35).
What are the key properties of N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-methylbenzamide?
N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-methylbenzamide has a molecular weight of 478.60 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-methylbenzamide is sourced from PubChem (CID 56696883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).