N-(2-ethylphenyl)-4-[5-[(4-methoxybenzoyl)amino]pyrazol-1-yl]piperidine-1-carboxamide

C25H29N5O3 — CID 42567750

IUPACN-(2-ethylphenyl)-4-[5-[(4-methoxybenzoyl)amino]pyrazol-1-yl]piperidine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCC(n2nccc2NC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C25H29N5O3/c1-3-18-6-4-5-7-22(18)27-25(32)29-16-13-20(14-17-29)30-23(12-15-26-30)28-24(31)19-8-10-21(33-2)11-9-19/h4-12,15,20H,3,13-14,16-17H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyWMDISYQQSDNPQM-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.58
Rot. Bonds6

About N-(2-ethylphenyl)-4-[5-[(4-methoxybenzoyl)amino]pyrazol-1-yl]piperidine-1-carboxamide

N-(2-ethylphenyl)-4-[5-[(4-methoxybenzoyl)amino]pyrazol-1-yl]piperidine-1-carboxamide (PubChem CID 42567750) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-[5-[(4-methoxybenzoyl)amino]pyrazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-[5-[(4-methoxybenzoyl)amino]pyrazol-1-yl]piperidine-1-carboxamide
PubChem CID42567750
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC NameN-(2-ethylphenyl)-4-[5-[(4-methoxybenzoyl)amino]pyrazol-1-yl]piperidine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCC(n2nccc2NC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C25H29N5O3/c1-3-18-6-4-5-7-22(18)27-25(32)29-16-13-20(14-17-29)30-23(12-15-26-30)28-24(31)19-8-10-21(33-2)11-9-19/h4-12,15,20H,3,13-14,16-17H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyWMDISYQQSDNPQM-UHFFFAOYSA-N
XLogP4.58
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-ethylsulfonylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide
CID 29215915
N-[2-(1-cyclobutylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide
CID 24816610
4-methoxy-N-[2-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 25379021
4-methoxy-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24817414
N-[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide
CID 42591639
4-methoxy-N-[2-[1-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 95228095
4-methoxy-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 26392217
N-ethyl-4-[5-[(2-methoxyphenyl)carbamoylamino]pyrazol-1-yl]piperidine-1-carboxamide
CID 42513641
4-[(4-ethoxybenzoyl)amino]-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 3218431
4-methoxy-N-[2-[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 56700714
N-(2-ethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6467053
5-[1-[(2-ethylphenyl)carbamoyl]piperidin-4-yl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50816471

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-[5-[(4-methoxybenzoyl)amino]pyrazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-4-[5-[(4-methoxybenzoyl)amino]pyrazol-1-yl]piperidine-1-carboxamide (CID 42567750) is N-(2-ethylphenyl)-4-[5-[(4-methoxybenzoyl)amino]pyrazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-[5-[(4-methoxybenzoyl)amino]pyrazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-4-[5-[(4-methoxybenzoyl)amino]pyrazol-1-yl]piperidine-1-carboxamide is CCc1ccccc1NC(=O)N1CCC(n2nccc2NC(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of N-(2-ethylphenyl)-4-[5-[(4-methoxybenzoyl)amino]pyrazol-1-yl]piperidine-1-carboxamide?
The InChIKey is WMDISYQQSDNPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-3-18-6-4-5-7-22(18)27-25(32)29-16-13-20(14-17-29)30-23(12-15-26-30)28-24(31)19-8-10-21(33-2)11-9-19/h4-12,15,20H,3,13-14,16-17H2,1-2H3,(H,27,32)(H,28,31).
What are the key properties of N-(2-ethylphenyl)-4-[5-[(4-methoxybenzoyl)amino]pyrazol-1-yl]piperidine-1-carboxamide?
N-(2-ethylphenyl)-4-[5-[(4-methoxybenzoyl)amino]pyrazol-1-yl]piperidine-1-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-[5-[(4-methoxybenzoyl)amino]pyrazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 42567750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).