N-[2-(4-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide

C23H26N4O2 — CID 45186640

IUPACN-[2-(4-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
SMILESCOc1ccc(-c2ccccc2NC(=O)C2CCCN(Cc3ccn[nH]3)C2)cc1
InChIInChI=1S/C23H26N4O2/c1-29-20-10-8-17(9-11-20)21-6-2-3-7-22(21)25-23(28)18-5-4-14-27(15-18)16-19-12-13-24-26-19/h2-3,6-13,18H,4-5,14-16H2,1H3,(H,24,26)(H,25,28)
InChIKeyWGUWRGAONMGPEQ-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.94
Rot. Bonds6

About N-[2-(4-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide

N-[2-(4-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide (PubChem CID 45186640) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
PubChem CID45186640
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[2-(4-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
SMILESCOc1ccc(-c2ccccc2NC(=O)C2CCCN(Cc3ccn[nH]3)C2)cc1
InChIInChI=1S/C23H26N4O2/c1-29-20-10-8-17(9-11-20)21-6-2-3-7-22(21)25-23(28)18-5-4-14-27(15-18)16-19-12-13-24-26-19/h2-3,6-13,18H,4-5,14-16H2,1H3,(H,24,26)(H,25,28)
InChIKeyWGUWRGAONMGPEQ-UHFFFAOYSA-N
XLogP3.94
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[2-(4-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine-3-carboxamide
CID 42596442
1-[(3,5-difluorophenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 45169697
1-(cyclopropylmethyl)-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 56857067
N-[2-(4-methoxyphenyl)phenyl]-1-[(E)-2-methylbut-2-enyl]piperidine-3-carboxamide
CID 45247760
1-[(3-chloro-4-hydroxyphenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 45184860
N-[2-(4-methoxyphenyl)phenyl]-1-pentan-3-ylpiperidine-3-carboxamide
CID 45243690
N-[2-(4-methoxyphenyl)phenyl]-1-(thian-4-yl)piperidine-3-carboxamide
CID 45228808
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(3-methoxypropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43930918
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-3-carboxamide
CID 43930915
1-benzyl-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 47072465
(2R)-N-[2-(4-methoxyphenyl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 25287412
1-[(2-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 43919687

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide (CID 45186640) is N-[2-(4-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide is COc1ccc(-c2ccccc2NC(=O)C2CCCN(Cc3ccn[nH]3)C2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide?
The InChIKey is WGUWRGAONMGPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-29-20-10-8-17(9-11-20)21-6-2-3-7-22(21)25-23(28)18-5-4-14-27(15-18)16-19-12-13-24-26-19/h2-3,6-13,18H,4-5,14-16H2,1H3,(H,24,26)(H,25,28).
What are the key properties of N-[2-(4-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide?
N-[2-(4-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 45186640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).