3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

C20H23N3O2 — CID 71894379

IUPAC3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESCc1cccc(N2CCN(C(=O)c3cc4c([nH]c3=O)CCC4)CC2)c1
InChIInChI=1S/C20H23N3O2/c1-14-4-2-6-16(12-14)22-8-10-23(11-9-22)20(25)17-13-15-5-3-7-18(15)21-19(17)24/h2,4,6,12-13H,3,5,7-11H2,1H3,(H,21,24)
InChIKeyGBRXMFMVJYQOKR-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.13
Rot. Bonds2

About 3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (PubChem CID 71894379) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
PubChem CID71894379
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESCc1cccc(N2CCN(C(=O)c3cc4c([nH]c3=O)CCC4)CC2)c1
InChIInChI=1S/C20H23N3O2/c1-14-4-2-6-16(12-14)22-8-10-23(11-9-22)20(25)17-13-15-5-3-7-18(15)21-19(17)24/h2,4,6,12-13H,3,5,7-11H2,1H3,(H,21,24)
InChIKeyGBRXMFMVJYQOKR-UHFFFAOYSA-N
XLogP2.13
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110766171
3-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 51054862
(2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 18120424
[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295146
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
3-(4-quinazolin-4-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 56911668
[4-(3-methylphenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone
CID 25398074
(3-amino-2-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 28723176
(2-methyl-1H-benzimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110701045
[4-(3-methylphenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 27040790
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzonitrile
CID 17478919
3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 71941109

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The IUPAC name of 3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (CID 71894379) is 3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.
What is the SMILES notation for 3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The canonical SMILES for 3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is Cc1cccc(N2CCN(C(=O)c3cc4c([nH]c3=O)CCC4)CC2)c1.
What is the InChIKey of 3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The InChIKey is GBRXMFMVJYQOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-4-2-6-16(12-14)22-8-10-23(11-9-22)20(25)17-13-15-5-3-7-18(15)21-19(17)24/h2,4,6,12-13H,3,5,7-11H2,1H3,(H,21,24).
What are the key properties of 3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one has a molecular weight of 337.42 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is sourced from PubChem (CID 71894379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).