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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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).