4-cyano-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide

C20H25N5O — CID 48957771

IUPAC4-cyano-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide
SMILESCc1cc(C)n(-c2ccc(CCNC(=O)N3CCC(C#N)CC3)cc2)n1
InChIInChI=1S/C20H25N5O/c1-15-13-16(2)25(23-15)19-5-3-17(4-6-19)7-10-22-20(26)24-11-8-18(14-21)9-12-24/h3-6,13,18H,7-12H2,1-2H3,(H,22,26)
InChIKeyGDSIHQXLHVVVFI-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.98
Rot. Bonds4

About 4-cyano-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide

4-cyano-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide (PubChem CID 48957771) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-cyano-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide
PubChem CID48957771
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name4-cyano-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide
SMILESCc1cc(C)n(-c2ccc(CCNC(=O)N3CCC(C#N)CC3)cc2)n1
InChIInChI=1S/C20H25N5O/c1-15-13-16(2)25(23-15)19-5-3-17(4-6-19)7-10-22-20(26)24-11-8-18(14-21)9-12-24/h3-6,13,18H,7-12H2,1-2H3,(H,22,26)
InChIKeyGDSIHQXLHVVVFI-UHFFFAOYSA-N
XLogP2.98
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 48955140
(2S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]oxolane-2-carboxamide
CID 51725560
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 90495552
3-cyano-N-[2-(4-cyclohexylphenyl)ethyl]pyrrolidine-1-carboxamide
CID 136552584
1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 55724551
4-cyano-N-[[4-(diethylamino)phenyl]methyl]piperidine-1-carboxamide
CID 48957963
2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetonitrile
CID 4962802
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412823
3-(2-chlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide
CID 55707001
4-cyano-N-(3-methylbutyl)piperidine-1-carboxamide
CID 110312656
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55707373
N-[3-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 46476253

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-cyano-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide (CID 48957771) is 4-cyano-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-cyano-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide is Cc1cc(C)n(-c2ccc(CCNC(=O)N3CCC(C#N)CC3)cc2)n1.
What is the InChIKey of 4-cyano-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide?
The InChIKey is GDSIHQXLHVVVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-15-13-16(2)25(23-15)19-5-3-17(4-6-19)7-10-22-20(26)24-11-8-18(14-21)9-12-24/h3-6,13,18H,7-12H2,1-2H3,(H,22,26).
What are the key properties of 4-cyano-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide?
4-cyano-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 48957771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).