(1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone

C19H24N2O — CID 97084722

IUPAC(1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
SMILESCn1cccc1C(=O)N1CCCC[C@H]1CCc1ccccc1
InChIInChI=1S/C19H24N2O/c1-20-14-7-11-18(20)19(22)21-15-6-5-10-17(21)13-12-16-8-3-2-4-9-16/h2-4,7-9,11,14,17H,5-6,10,12-13,15H2,1H3/t17-/m0/s1
InChIKeyHUNVRTNIJWKDPJ-KRWDZBQOSA-N
MW296.41 g/mol
LogP3.65
Rot. Bonds4

About (1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone

(1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone (PubChem CID 97084722) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
PubChem CID97084722
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
SMILESCn1cccc1C(=O)N1CCCC[C@H]1CCc1ccccc1
InChIInChI=1S/C19H24N2O/c1-20-14-7-11-18(20)19(22)21-15-6-5-10-17(21)13-12-16-8-3-2-4-9-16/h2-4,7-9,11,14,17H,5-6,10,12-13,15H2,1H3/t17-/m0/s1
InChIKeyHUNVRTNIJWKDPJ-KRWDZBQOSA-N
XLogP3.65
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone 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

2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]acetic acid
CID 54899755
1-methyl-5-[(2R)-2-(2-phenylethyl)piperidine-1-carbonyl]pyridin-2-one
CID 97084725
(2,5-dimethylpyrazol-3-yl)-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 95578829
[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 164631850
1-methyl-4-[(2S)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 94616102
(2R)-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 28741403
(4-chloro-1-methylpyrazol-3-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97119632
[2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone
CID 70764538
N,1-dimethyl-5-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyrrole-3-sulfonamide
CID 55925471
2-methoxyethyl (2R)-2-(2-phenylethyl)piperidine-1-carboxylate
CID 95724358
3,4-dihydro-2H-pyran-5-yl-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97247319
[(2S)-2-(2-phenylethyl)piperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 96576779

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone (CID 97084722) is (1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone is Cn1cccc1C(=O)N1CCCC[C@H]1CCc1ccccc1.
What is the InChIKey of (1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone?
The InChIKey is HUNVRTNIJWKDPJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N2O/c1-20-14-7-11-18(20)19(22)21-15-6-5-10-17(21)13-12-16-8-3-2-4-9-16/h2-4,7-9,11,14,17H,5-6,10,12-13,15H2,1H3/t17-/m0/s1.
What are the key properties of (1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone?
(1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone has a molecular weight of 296.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 97084722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).