N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide

C25H29ClN4O — CID 24792012

IUPACN-[3-(3-chlorophenyl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCCn1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)c(C)n1
InChIInChI=1S/C25H29ClN4O/c1-3-30-17-22(18(2)28-30)16-29-12-10-19(11-13-29)25(31)27-24-9-5-7-21(15-24)20-6-4-8-23(26)14-20/h4-9,14-15,17,19H,3,10-13,16H2,1-2H3,(H,27,31)
InChIKeyFNZIQFHZOIRQGG-UHFFFAOYSA-N
MW436.99 g/mol
LogP5.38
Rot. Bonds6

About N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide

N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 24792012) has the molecular formula C25H29ClN4O and a molecular weight of 436.99 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID24792012
Molecular FormulaC25H29ClN4O
Molecular Weight436.99 g/mol
Exact Mass436.20
IUPAC NameN-[3-(3-chlorophenyl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCCn1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)c(C)n1
InChIInChI=1S/C25H29ClN4O/c1-3-30-17-22(18(2)28-30)16-29-12-10-19(11-13-29)25(31)27-24-9-5-7-21(15-24)20-6-4-8-23(26)14-20/h4-9,14-15,17,19H,3,10-13,16H2,1-2H3,(H,27,31)
InChIKeyFNZIQFHZOIRQGG-UHFFFAOYSA-N
XLogP5.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.99
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide (CID 24792012) is N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide is CCn1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)c(C)n1.
What is the InChIKey of N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is FNZIQFHZOIRQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O/c1-3-30-17-22(18(2)28-30)16-29-12-10-19(11-13-29)25(31)27-24-9-5-7-21(15-24)20-6-4-8-23(26)14-20/h4-9,14-15,17,19H,3,10-13,16H2,1-2H3,(H,27,31).
What are the key properties of N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 436.99 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 24792012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).