(4R)-1-(cyclopropylmethyl)-4-[(2R)-2-pyridin-4-ylazepane-1-carbonyl]pyrrolidin-2-one

C20H27N3O2 — CID 97084977

IUPAC(4R)-1-(cyclopropylmethyl)-4-[(2R)-2-pyridin-4-ylazepane-1-carbonyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCCCC[C@@H]2c2ccncc2)CN1CC1CC1
InChIInChI=1S/C20H27N3O2/c24-19-12-17(14-22(19)13-15-5-6-15)20(25)23-11-3-1-2-4-18(23)16-7-9-21-10-8-16/h7-10,15,17-18H,1-6,11-14H2/t17-,18-/m1/s1
InChIKeyOCFXDVRHSUALSX-QZTJIDSGSA-N
MW341.46 g/mol
LogP2.78
Rot. Bonds4

About (4R)-1-(cyclopropylmethyl)-4-[(2R)-2-pyridin-4-ylazepane-1-carbonyl]pyrrolidin-2-one

(4R)-1-(cyclopropylmethyl)-4-[(2R)-2-pyridin-4-ylazepane-1-carbonyl]pyrrolidin-2-one (PubChem CID 97084977) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (4R)-1-(cyclopropylmethyl)-4-[(2R)-2-pyridin-4-ylazepane-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(cyclopropylmethyl)-4-[(2R)-2-pyridin-4-ylazepane-1-carbonyl]pyrrolidin-2-one
PubChem CID97084977
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name(4R)-1-(cyclopropylmethyl)-4-[(2R)-2-pyridin-4-ylazepane-1-carbonyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCCCC[C@@H]2c2ccncc2)CN1CC1CC1
InChIInChI=1S/C20H27N3O2/c24-19-12-17(14-22(19)13-15-5-6-15)20(25)23-11-3-1-2-4-18(23)16-7-9-21-10-8-16/h7-10,15,17-18H,1-6,11-14H2/t17-,18-/m1/s1
InChIKeyOCFXDVRHSUALSX-QZTJIDSGSA-N
XLogP2.78
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-1-(cyclopropylmethyl)-4-[(2R)-2-pyridin-4-ylazepane-1-carbonyl]pyrrolidin-2-one 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-(cyclopropylmethyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 56811909
(4S)-1-(cyclopropylmethyl)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95336852
4-(2-pyridin-4-ylazepane-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 55764507
(4S)-1-(cyclopropylmethyl)-4-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94091385
1-[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 43356011
(4S)-1-(cyclopropylmethyl)-4-[(2R)-2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95353523
cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939217
(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94093448
(4S)-1-(cyclopropylmethyl)-4-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 95603206
1-(2-phenylethyl)-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 162990301
1-[2-(dimethylamino)ethyl]-4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 74235101
(4R)-1-(2-methoxyethyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94047218

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(cyclopropylmethyl)-4-[(2R)-2-pyridin-4-ylazepane-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(cyclopropylmethyl)-4-[(2R)-2-pyridin-4-ylazepane-1-carbonyl]pyrrolidin-2-one (CID 97084977) is (4R)-1-(cyclopropylmethyl)-4-[(2R)-2-pyridin-4-ylazepane-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(cyclopropylmethyl)-4-[(2R)-2-pyridin-4-ylazepane-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(cyclopropylmethyl)-4-[(2R)-2-pyridin-4-ylazepane-1-carbonyl]pyrrolidin-2-one is O=C1C[C@@H](C(=O)N2CCCCC[C@@H]2c2ccncc2)CN1CC1CC1.
What is the InChIKey of (4R)-1-(cyclopropylmethyl)-4-[(2R)-2-pyridin-4-ylazepane-1-carbonyl]pyrrolidin-2-one?
The InChIKey is OCFXDVRHSUALSX-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-19-12-17(14-22(19)13-15-5-6-15)20(25)23-11-3-1-2-4-18(23)16-7-9-21-10-8-16/h7-10,15,17-18H,1-6,11-14H2/t17-,18-/m1/s1.
What are the key properties of (4R)-1-(cyclopropylmethyl)-4-[(2R)-2-pyridin-4-ylazepane-1-carbonyl]pyrrolidin-2-one?
(4R)-1-(cyclopropylmethyl)-4-[(2R)-2-pyridin-4-ylazepane-1-carbonyl]pyrrolidin-2-one has a molecular weight of 341.46 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(cyclopropylmethyl)-4-[(2R)-2-pyridin-4-ylazepane-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 97084977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).