N-[4-(3-methoxyphenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide

C25H30N4O2 — CID 24790065

IUPACN-[4-(3-methoxyphenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
SMILESCOc1cccc(-c2ccc(NC(=O)C3CCCN(CCCn4cccn4)C3)cc2)c1
InChIInChI=1S/C25H30N4O2/c1-31-24-8-2-6-21(18-24)20-9-11-23(12-10-20)27-25(30)22-7-3-14-28(19-22)15-5-17-29-16-4-13-26-29/h2,4,6,8-13,16,18,22H,3,5,7,14-15,17,19H2,1H3,(H,27,30)
InChIKeyKNSJONRHRWFWHY-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.30
Rot. Bonds8

About N-[4-(3-methoxyphenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide

N-[4-(3-methoxyphenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide (PubChem CID 24790065) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[4-(3-methoxyphenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methoxyphenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
PubChem CID24790065
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-[4-(3-methoxyphenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
SMILESCOc1cccc(-c2ccc(NC(=O)C3CCCN(CCCn4cccn4)C3)cc2)c1
InChIInChI=1S/C25H30N4O2/c1-31-24-8-2-6-21(18-24)20-9-11-23(12-10-20)27-25(30)22-7-3-14-28(19-22)15-5-17-29-16-4-13-26-29/h2,4,6,8-13,16,18,22H,3,5,7,14-15,17,19H2,1H3,(H,27,30)
InChIKeyKNSJONRHRWFWHY-UHFFFAOYSA-N
XLogP4.30
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-methoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68565200
1-[(3-methoxyphenyl)methyl]-1-(3-piperidin-1-ylpropyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 70896923
N-hydroxy-5-[1-[(3-methoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 72195594
2-[3-oxo-1-(3-phenoxybenzyl)-2-piperazinyl]-N-[3-(1H-pyrazol-1-yl)propyl]acetamide
CID 16190181
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24790433
N-[4-(2-fluorophenoxy)phenyl]-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide
CID 24791075
N-[4-(2-fluorophenoxy)phenyl]-1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide
CID 24791652
N-(3'-methoxy-4-biphenylyl)-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-3-piperidinecarboxamide
CID 24817668
3-(2-methoxyphenyl)-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
CID 24818848
1-(4-fluoro-3-methoxybenzyl)-N-[3-(1H-pyrazol-1-yl)phenyl]-3-piperidinecarboxamide
CID 24818940
1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-N-(3'-methoxy-4-biphenylyl)-3-piperidinecarboxamide
CID 24818983
1-(4-methoxybenzyl)-N-[3-(1H-pyrazol-1-yl)phenyl]-3-piperidinecarboxamide
CID 24819389

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxyphenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of N-[4-(3-methoxyphenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide (CID 24790065) is N-[4-(3-methoxyphenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(3-methoxyphenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for N-[4-(3-methoxyphenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide is COc1cccc(-c2ccc(NC(=O)C3CCCN(CCCn4cccn4)C3)cc2)c1.
What is the InChIKey of N-[4-(3-methoxyphenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
The InChIKey is KNSJONRHRWFWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-31-24-8-2-6-21(18-24)20-9-11-23(12-10-20)27-25(30)22-7-3-14-28(19-22)15-5-17-29-16-4-13-26-29/h2,4,6,8-13,16,18,22H,3,5,7,14-15,17,19H2,1H3,(H,27,30).
What are the key properties of N-[4-(3-methoxyphenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
N-[4-(3-methoxyphenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxyphenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 24790065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).