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

C19H25N5O2 — CID 120880030

IUPAC3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one
SMILESCn1ccnc1C1CNCCN1C(=O)c1cc2c([nH]c1=O)CCCCC2
InChIInChI=1S/C19H25N5O2/c1-23-9-8-21-17(23)16-12-20-7-10-24(16)19(26)14-11-13-5-3-2-4-6-15(13)22-18(14)25/h8-9,11,16,20H,2-7,10,12H2,1H3,(H,22,25)
InChIKeyYQSSTTGPHRFNMX-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.16
Rot. Bonds2

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

3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one (PubChem CID 120880030) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one.

Molecular Properties

Compound Name3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one
PubChem CID120880030
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one
SMILESCn1ccnc1C1CNCCN1C(=O)c1cc2c([nH]c1=O)CCCCC2
InChIInChI=1S/C19H25N5O2/c1-23-9-8-21-17(23)16-12-20-7-10-24(16)19(26)14-11-13-5-3-2-4-6-15(13)22-18(14)25/h8-9,11,16,20H,2-7,10,12H2,1H3,(H,22,25)
InChIKeyYQSSTTGPHRFNMX-UHFFFAOYSA-N
XLogP1.16
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydro-1H-inden-5-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880409
3-(2-methylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride
CID 119473139
3-(2-pyridin-3-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride
CID 120728924
(2,4-difluoro-5-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877772
(2-fluoro-4-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879020
(2-chloro-4,5-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120878629
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
(2,5-dichlorothiophen-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120878803
(3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880230
cyclooctyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120879549
(2,4-dichloro-5-methylsulfanylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877708
(2-fluoro-4,5-dimethoxyphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120879795

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one?
The IUPAC name of 3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one (CID 120880030) is 3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one.
What is the SMILES notation for 3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one?
The canonical SMILES for 3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one is Cn1ccnc1C1CNCCN1C(=O)c1cc2c([nH]c1=O)CCCCC2.
What is the InChIKey of 3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one?
The InChIKey is YQSSTTGPHRFNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-23-9-8-21-17(23)16-12-20-7-10-24(16)19(26)14-11-13-5-3-2-4-6-15(13)22-18(14)25/h8-9,11,16,20H,2-7,10,12H2,1H3,(H,22,25).
What are the key properties of 3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one?
3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one has a molecular weight of 355.44 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one is sourced from PubChem (CID 120880030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).