4-[(3S)-3-methyl-3-phenylpiperidine-1-carbonyl]-1H-pyrrole-2-carbonitrile

C18H19N3O — CID 124615496

IUPAC4-[(3S)-3-methyl-3-phenylpiperidine-1-carbonyl]-1H-pyrrole-2-carbonitrile
SMILESC[C@@]1(c2ccccc2)CCCN(C(=O)c2c[nH]c(C#N)c2)C1
InChIInChI=1S/C18H19N3O/c1-18(15-6-3-2-4-7-15)8-5-9-21(13-18)17(22)14-10-16(11-19)20-12-14/h2-4,6-7,10,12,20H,5,8-9,13H2,1H3/t18-/m1/s1
InChIKeyHZLAGYGSMBHOEB-GOSISDBHSA-N
MW293.37 g/mol
LogP3.08
Rot. Bonds2

About 4-[(3S)-3-methyl-3-phenylpiperidine-1-carbonyl]-1H-pyrrole-2-carbonitrile

4-[(3S)-3-methyl-3-phenylpiperidine-1-carbonyl]-1H-pyrrole-2-carbonitrile (PubChem CID 124615496) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[(3S)-3-methyl-3-phenylpiperidine-1-carbonyl]-1H-pyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-[(3S)-3-methyl-3-phenylpiperidine-1-carbonyl]-1H-pyrrole-2-carbonitrile
PubChem CID124615496
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-[(3S)-3-methyl-3-phenylpiperidine-1-carbonyl]-1H-pyrrole-2-carbonitrile
SMILESC[C@@]1(c2ccccc2)CCCN(C(=O)c2c[nH]c(C#N)c2)C1
InChIInChI=1S/C18H19N3O/c1-18(15-6-3-2-4-7-15)8-5-9-21(13-18)17(22)14-10-16(11-19)20-12-14/h2-4,6-7,10,12,20H,5,8-9,13H2,1H3/t18-/m1/s1
InChIKeyHZLAGYGSMBHOEB-GOSISDBHSA-N
XLogP3.08
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(3S)-3-methyl-3-phenylpiperidine-1-carbonyl]-1H-pyrrole-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-methylimidazol-4-yl)-[(3R)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 124614411
[(3S)-3-methyl-3-phenylpiperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 97138452
(4-chloro-1-methylpyrrol-2-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 97125905
1-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione
CID 72847879
1-ethyl-4-(3-methyl-3-phenylpiperidine-1-carbonyl)pyridin-2-one
CID 72931976
(1,2-dimethylpyrrol-3-yl)-(3-methyl-3-phenylpiperidin-1-yl)methanone
CID 72938900
2-methoxy-N,N-dimethyl-5-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 139000603
[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]methylurea
CID 119129647
(3,5-dimethylimidazol-4-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 125164514
2-[2-methoxy-4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenoxy]acetamide
CID 119129651
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 97285272
2-methyl-6-(3-methyl-3-phenylpiperidine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 72894036

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-methyl-3-phenylpiperidine-1-carbonyl]-1H-pyrrole-2-carbonitrile?
The IUPAC name of 4-[(3S)-3-methyl-3-phenylpiperidine-1-carbonyl]-1H-pyrrole-2-carbonitrile (CID 124615496) is 4-[(3S)-3-methyl-3-phenylpiperidine-1-carbonyl]-1H-pyrrole-2-carbonitrile.
What is the SMILES notation for 4-[(3S)-3-methyl-3-phenylpiperidine-1-carbonyl]-1H-pyrrole-2-carbonitrile?
The canonical SMILES for 4-[(3S)-3-methyl-3-phenylpiperidine-1-carbonyl]-1H-pyrrole-2-carbonitrile is C[C@@]1(c2ccccc2)CCCN(C(=O)c2c[nH]c(C#N)c2)C1.
What is the InChIKey of 4-[(3S)-3-methyl-3-phenylpiperidine-1-carbonyl]-1H-pyrrole-2-carbonitrile?
The InChIKey is HZLAGYGSMBHOEB-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19N3O/c1-18(15-6-3-2-4-7-15)8-5-9-21(13-18)17(22)14-10-16(11-19)20-12-14/h2-4,6-7,10,12,20H,5,8-9,13H2,1H3/t18-/m1/s1.
What are the key properties of 4-[(3S)-3-methyl-3-phenylpiperidine-1-carbonyl]-1H-pyrrole-2-carbonitrile?
4-[(3S)-3-methyl-3-phenylpiperidine-1-carbonyl]-1H-pyrrole-2-carbonitrile has a molecular weight of 293.37 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-methyl-3-phenylpiperidine-1-carbonyl]-1H-pyrrole-2-carbonitrile is sourced from PubChem (CID 124615496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).