3-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

C21H25N3O3 — CID 95892181

IUPAC3-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESCOc1ccccc1N1CCN(C(=O)c2cc3c([nH]c2=O)CCC3)[C@H](C)C1
InChIInChI=1S/C21H25N3O3/c1-14-13-23(18-8-3-4-9-19(18)27-2)10-11-24(14)21(26)16-12-15-6-5-7-17(15)22-20(16)25/h3-4,8-9,12,14H,5-7,10-11,13H2,1-2H3,(H,22,25)/t14-/m1/s1
InChIKeyQCBRNHNKUKSHMK-CQSZACIVSA-N
MW367.45 g/mol
LogP2.22
Rot. Bonds3

About 3-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

3-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (PubChem CID 95892181) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name3-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
PubChem CID95892181
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESCOc1ccccc1N1CCN(C(=O)c2cc3c([nH]c2=O)CCC3)[C@H](C)C1
InChIInChI=1S/C21H25N3O3/c1-14-13-23(18-8-3-4-9-19(18)27-2)10-11-24(14)21(26)16-12-15-6-5-7-17(15)22-20(16)25/h3-4,8-9,12,14H,5-7,10-11,13H2,1-2H3,(H,22,25)/t14-/m1/s1
InChIKeyQCBRNHNKUKSHMK-CQSZACIVSA-N
XLogP2.22
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-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

3-[(2S)-4-(4-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 95876614
[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 70788247
5-[4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]-4-methoxy-1H-pyridin-2-one
CID 136564991
methyl 4-[(3R)-4-(6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbonyl)-3-methylpiperazin-1-yl]benzoate
CID 97024663
5-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1,3-benzoxazol-2-one
CID 95897591
5-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1,3-benzoxazol-2-one
CID 95897590
methyl (2R)-1-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate
CID 95305525
6-methyl-1-(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 122113487
1-[2-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95897540
1-[2-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95897539
2,3-dihydro-1H-inden-5-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9118183
N-(2-ethylsulfanylethyl)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 121499519

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The IUPAC name of 3-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (CID 95892181) is 3-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.
What is the SMILES notation for 3-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The canonical SMILES for 3-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is COc1ccccc1N1CCN(C(=O)c2cc3c([nH]c2=O)CCC3)[C@H](C)C1.
What is the InChIKey of 3-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The InChIKey is QCBRNHNKUKSHMK-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14-13-23(18-8-3-4-9-19(18)27-2)10-11-24(14)21(26)16-12-15-6-5-7-17(15)22-20(16)25/h3-4,8-9,12,14H,5-7,10-11,13H2,1-2H3,(H,22,25)/t14-/m1/s1.
What are the key properties of 3-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
3-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one has a molecular weight of 367.45 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is sourced from PubChem (CID 95892181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).