1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide

C25H29FN4O — CID 24790283

IUPAC1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide
SMILESCCn1ncc(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)c1C
InChIInChI=1S/C25H29FN4O/c1-3-30-18(2)22(16-27-30)17-29-12-10-19(11-13-29)25(31)28-24-9-5-7-21(15-24)20-6-4-8-23(26)14-20/h4-9,14-16,19H,3,10-13,17H2,1-2H3,(H,28,31)
InChIKeyNGEKRXMQADAPEM-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.87
Rot. Bonds6

About 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide

1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide (PubChem CID 24790283) has the molecular formula C25H29FN4O and a molecular weight of 420.53 g/mol. Its IUPAC name is 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide
PubChem CID24790283
Molecular FormulaC25H29FN4O
Molecular Weight420.53 g/mol
Exact Mass420.23
IUPAC Name1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide
SMILESCCn1ncc(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)c1C
InChIInChI=1S/C25H29FN4O/c1-3-30-18(2)22(16-27-30)17-29-12-10-19(11-13-29)25(31)28-24-9-5-7-21(15-24)20-6-4-8-23(26)14-20/h4-9,14-16,19H,3,10-13,17H2,1-2H3,(H,28,31)
InChIKeyNGEKRXMQADAPEM-UHFFFAOYSA-N
XLogP4.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide (CID 24790283) is 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide is CCn1ncc(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)c1C.
What is the InChIKey of 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide?
The InChIKey is NGEKRXMQADAPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O/c1-3-30-18(2)22(16-27-30)17-29-12-10-19(11-13-29)25(31)28-24-9-5-7-21(15-24)20-6-4-8-23(26)14-20/h4-9,14-16,19H,3,10-13,17H2,1-2H3,(H,28,31).
What are the key properties of 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide?
1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide has a molecular weight of 420.53 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 24790283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).