N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide

C29H27FN4O2 — CID 2892347

IUPACN-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide
SMILESO=C(Nc1c(C(=O)N2CCC(Cc3ccccc3)CC2)cnn1-c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C29H27FN4O2/c30-24-11-7-10-23(19-24)28(35)32-27-26(20-31-34(27)25-12-5-2-6-13-25)29(36)33-16-14-22(15-17-33)18-21-8-3-1-4-9-21/h1-13,19-20,22H,14-18H2,(H,32,35)
InChIKeyRHWJQUUAUKSWED-UHFFFAOYSA-N
MW482.56 g/mol
LogP5.36
Rot. Bonds6

About N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide

N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide (PubChem CID 2892347) has the molecular formula C29H27FN4O2 and a molecular weight of 482.56 g/mol. Its IUPAC name is N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide
PubChem CID2892347
Molecular FormulaC29H27FN4O2
Molecular Weight482.56 g/mol
Exact Mass482.21
IUPAC NameN-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide
SMILESO=C(Nc1c(C(=O)N2CCC(Cc3ccccc3)CC2)cnn1-c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C29H27FN4O2/c30-24-11-7-10-23(19-24)28(35)32-27-26(20-31-34(27)25-12-5-2-6-13-25)29(36)33-16-14-22(15-17-33)18-21-8-3-1-4-9-21/h1-13,19-20,22H,14-18H2,(H,32,35)
InChIKeyRHWJQUUAUKSWED-UHFFFAOYSA-N
XLogP5.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.56
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-methylbenzamide
CID 56696883
N-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-phenylpyrazol-5-yl]-3-fluorobenzamide
CID 1068289
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-3-fluorobenzamide
CID 113015460
5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1347968
5-benzamido-1-phenylpyrazole-4-carboxylic acid
CID 16638016
4-benzyl-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 3570835
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
2-(4-benzylpiperidin-1-yl)-5-[(3-fluorobenzoyl)amino]-N-propan-2-ylbenzamide
CID 5032503
5-[(3-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylic acid
CID 110483243
(4-benzylpiperidin-1-yl)-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 46074606
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
3-(4-benzylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide
CID 109051316

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide?
The IUPAC name of N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide (CID 2892347) is N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide?
The canonical SMILES for N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide is O=C(Nc1c(C(=O)N2CCC(Cc3ccccc3)CC2)cnn1-c1ccccc1)c1cccc(F)c1.
What is the InChIKey of N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide?
The InChIKey is RHWJQUUAUKSWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN4O2/c30-24-11-7-10-23(19-24)28(35)32-27-26(20-31-34(27)25-12-5-2-6-13-25)29(36)33-16-14-22(15-17-33)18-21-8-3-1-4-9-21/h1-13,19-20,22H,14-18H2,(H,32,35).
What are the key properties of N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide?
N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide has a molecular weight of 482.56 g/mol, XLogP of 5.36, 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]-3-fluorobenzamide is sourced from PubChem (CID 2892347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).