N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrazole-4-carbonyl)piperidine-4-carboxamide

C23H24N4O3 — CID 171330847

IUPACN-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrazole-4-carbonyl)piperidine-4-carboxamide
SMILESCOc1cccc(-c2ccccc2NC(=O)C2CCN(C(=O)c3cn[nH]c3)CC2)c1
InChIInChI=1S/C23H24N4O3/c1-30-19-6-4-5-17(13-19)20-7-2-3-8-21(20)26-22(28)16-9-11-27(12-10-16)23(29)18-14-24-25-15-18/h2-8,13-16H,9-12H2,1H3,(H,24,25)(H,26,28)
InChIKeyQKNPYVSFFRVVFM-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.58
Rot. Bonds5

About N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrazole-4-carbonyl)piperidine-4-carboxamide

N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrazole-4-carbonyl)piperidine-4-carboxamide (PubChem CID 171330847) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrazole-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrazole-4-carbonyl)piperidine-4-carboxamide
PubChem CID171330847
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrazole-4-carbonyl)piperidine-4-carboxamide
SMILESCOc1cccc(-c2ccccc2NC(=O)C2CCN(C(=O)c3cn[nH]c3)CC2)c1
InChIInChI=1S/C23H24N4O3/c1-30-19-6-4-5-17(13-19)20-7-2-3-8-21(20)26-22(28)16-9-11-27(12-10-16)23(29)18-14-24-25-15-18/h2-8,13-16H,9-12H2,1H3,(H,24,25)(H,26,28)
InChIKeyQKNPYVSFFRVVFM-UHFFFAOYSA-N
XLogP3.58
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-2-carbonyl)piperidine-4-carboxamide
CID 171686778
N-(2-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 1245576
N-[2-(3-methoxyphenyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 72929287
N-(2-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113007109
[(2S)-2-[2-(3-methoxyphenyl)phenyl]pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 167484817
N-[3-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxamide
CID 72853141
1-(1H-imidazol-2-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide
CID 171687153
N-[2-(3-methoxyphenyl)phenyl]-1-(oxolan-3-ylmethyl)piperidine-4-carboxamide
CID 126461711
N-(2-ethoxyphenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113007539
1-(3-methoxybenzoyl)-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 113007631
N-(2-bromophenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 1327363
N-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 119422420

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrazole-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrazole-4-carbonyl)piperidine-4-carboxamide (CID 171330847) is N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrazole-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrazole-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrazole-4-carbonyl)piperidine-4-carboxamide is COc1cccc(-c2ccccc2NC(=O)C2CCN(C(=O)c3cn[nH]c3)CC2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrazole-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is QKNPYVSFFRVVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-30-19-6-4-5-17(13-19)20-7-2-3-8-21(20)26-22(28)16-9-11-27(12-10-16)23(29)18-14-24-25-15-18/h2-8,13-16H,9-12H2,1H3,(H,24,25)(H,26,28).
What are the key properties of N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrazole-4-carbonyl)piperidine-4-carboxamide?
N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrazole-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrazole-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 171330847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).