3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one

C22H27N3O3 — CID 167745798

IUPAC3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one
SMILESCOc1cccc(C2CN(C(=O)c3cc4c([nH]c3=O)CCCCC4)CCN2)c1
InChIInChI=1S/C22H27N3O3/c1-28-17-8-5-7-15(12-17)20-14-25(11-10-23-20)22(27)18-13-16-6-3-2-4-9-19(16)24-21(18)26/h5,7-8,12-13,20,23H,2-4,6,9-11,14H2,1H3,(H,24,26)
InChIKeyJPODBUMSUYRVAF-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.44
Rot. Bonds3

About 3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one

3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one (PubChem CID 167745798) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one.

Molecular Properties

Compound Name3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one
PubChem CID167745798
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one
SMILESCOc1cccc(C2CN(C(=O)c3cc4c([nH]c3=O)CCCCC4)CCN2)c1
InChIInChI=1S/C22H27N3O3/c1-28-17-8-5-7-15(12-17)20-14-25(11-10-23-20)22(27)18-13-16-6-3-2-4-9-19(16)24-21(18)26/h5,7-8,12-13,20,23H,2-4,6,9-11,14H2,1H3,(H,24,26)
InChIKeyJPODBUMSUYRVAF-UHFFFAOYSA-N
XLogP2.44
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[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-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one
CID 167926537
ethane;1-[3-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 142506558
[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]-[3-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 146076557
3-[3-(2,6-dimethylphenoxy)azetidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 72912934
(3S,4S)-4-methyl-1-(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120953298
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride
CID 119412958
3-[(2S)-4-(4-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 95876614
3-(1,4-diazepane-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride
CID 119418144
3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride
CID 120657667
3-(2-pyridin-4-ylmorpholine-4-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 155983417
3-[3-(4-phenylbenzoyl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 45233480
3-[3-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 71936111

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one?
The IUPAC name of 3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one (CID 167745798) is 3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one.
What is the SMILES notation for 3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one?
The canonical SMILES for 3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one is COc1cccc(C2CN(C(=O)c3cc4c([nH]c3=O)CCCCC4)CCN2)c1.
What is the InChIKey of 3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one?
The InChIKey is JPODBUMSUYRVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-28-17-8-5-7-15(12-17)20-14-25(11-10-23-20)22(27)18-13-16-6-3-2-4-9-19(16)24-21(18)26/h5,7-8,12-13,20,23H,2-4,6,9-11,14H2,1H3,(H,24,26).
What are the key properties of 3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one?
3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one has a molecular weight of 381.48 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one is sourced from PubChem (CID 167745798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).