N-(4-cyanophenyl)-4-(2,5-dimethylpyrrol-1-yl)piperidine-1-carboxamide

C19H22N4O — CID 47092621

IUPACN-(4-cyanophenyl)-4-(2,5-dimethylpyrrol-1-yl)piperidine-1-carboxamide
SMILESCc1ccc(C)n1C1CCN(C(=O)Nc2ccc(C#N)cc2)CC1
InChIInChI=1S/C19H22N4O/c1-14-3-4-15(2)23(14)18-9-11-22(12-10-18)19(24)21-17-7-5-16(13-20)6-8-17/h3-8,18H,9-12H2,1-2H3,(H,21,24)
InChIKeyYTOBYZRHSRJUBL-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.85
Rot. Bonds2

About N-(4-cyanophenyl)-4-(2,5-dimethylpyrrol-1-yl)piperidine-1-carboxamide

N-(4-cyanophenyl)-4-(2,5-dimethylpyrrol-1-yl)piperidine-1-carboxamide (PubChem CID 47092621) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-(2,5-dimethylpyrrol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-(2,5-dimethylpyrrol-1-yl)piperidine-1-carboxamide
PubChem CID47092621
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-(4-cyanophenyl)-4-(2,5-dimethylpyrrol-1-yl)piperidine-1-carboxamide
SMILESCc1ccc(C)n1C1CCN(C(=O)Nc2ccc(C#N)cc2)CC1
InChIInChI=1S/C19H22N4O/c1-14-3-4-15(2)23(14)18-9-11-22(12-10-18)19(24)21-17-7-5-16(13-20)6-8-17/h3-8,18H,9-12H2,1-2H3,(H,21,24)
InChIKeyYTOBYZRHSRJUBL-UHFFFAOYSA-N
XLogP3.85
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)piperidine-1-carboxamide
CID 89462027
(3S)-3-amino-N-(4-cyanophenyl)pyrrolidine-1-carboxamide
CID 113282408
N-(4-cyanophenyl)morpholine-4-carboxamide
CID 4984315
N-(4-cyanophenyl)-4-formylpiperazine-1-carboxamide
CID 23875995
1-N-(4-cyanophenyl)-4-N-(cyclopropylmethyl)-1,4-diazepane-1,4-dicarboxamide
CID 23852889
N-(4-cyanophenyl)-4-pentylpiperazine-1-carboxamide
CID 113110843
N-(4-cyanophenyl)-4-(3-methylbutyl)piperazine-1-carboxamide
CID 113110702
4-(4-cyanophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 23799232
4-[[2-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(4-cyanophenyl)piperidine-1-carboxamide
CID 6487295
(3S)-N-(4-cyanophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide
CID 94139251
4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide
CID 113081072
4-(4-cyanophenyl)-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111826

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-(2,5-dimethylpyrrol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-4-(2,5-dimethylpyrrol-1-yl)piperidine-1-carboxamide (CID 47092621) is N-(4-cyanophenyl)-4-(2,5-dimethylpyrrol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-(2,5-dimethylpyrrol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-4-(2,5-dimethylpyrrol-1-yl)piperidine-1-carboxamide is Cc1ccc(C)n1C1CCN(C(=O)Nc2ccc(C#N)cc2)CC1.
What is the InChIKey of N-(4-cyanophenyl)-4-(2,5-dimethylpyrrol-1-yl)piperidine-1-carboxamide?
The InChIKey is YTOBYZRHSRJUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14-3-4-15(2)23(14)18-9-11-22(12-10-18)19(24)21-17-7-5-16(13-20)6-8-17/h3-8,18H,9-12H2,1-2H3,(H,21,24).
What are the key properties of N-(4-cyanophenyl)-4-(2,5-dimethylpyrrol-1-yl)piperidine-1-carboxamide?
N-(4-cyanophenyl)-4-(2,5-dimethylpyrrol-1-yl)piperidine-1-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-(2,5-dimethylpyrrol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 47092621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).