3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;hydrochloride

C20H30ClN3O2 — CID 172912361

IUPAC3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;hydrochloride
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)N1C[C@H]2CCC[C@H]2C1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-14-7-9-22(11-15-4-3-8-21-10-15)19(24)18(14)20(25)23-12-16-5-2-6-17(16)13-23;/h7,9,15-17,21H,2-6,8,10-13H2,1H3;1H/t15?,16-,17+;
InChIKeyQSVUVCRUHJAKJB-ZXVFAPHLSA-N
MW379.93 g/mol
LogP2.45
Rot. Bonds3

About 3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;hydrochloride

3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;hydrochloride (PubChem CID 172912361) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is 3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;hydrochloride
PubChem CID172912361
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;hydrochloride
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)N1C[C@H]2CCC[C@H]2C1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-14-7-9-22(11-15-4-3-8-21-10-15)19(24)18(14)20(25)23-12-16-5-2-6-17(16)13-23;/h7,9,15-17,21H,2-6,8,10-13H2,1H3;1H/t15?,16-,17+;
InChIKeyQSVUVCRUHJAKJB-ZXVFAPHLSA-N
XLogP2.45
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carbonyl]piperazine-1-carboxylate;hydrochloride
CID 172912301
4-methyl-1-(piperidin-3-ylmethyl)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridin-2-one;dihydrochloride
CID 172911350
3-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride
CID 172910434
3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride
CID 172912366
4-methyl-1-(piperidin-3-ylmethyl)-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridin-2-one;dihydrochloride
CID 172910355
3-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one
CID 172660482
4-methyl-3-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-1-(piperidin-3-ylmethyl)pyridin-2-one
CID 172668051
4-methyl-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-1-(piperidin-3-ylmethyl)pyridin-2-one
CID 172669115
3-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride
CID 172913399
4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172665797
4-methyl-1-(piperidin-3-ylmethyl)-3-[4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbonyl]pyridin-2-one;dihydrochloride
CID 172910357
N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172657245

Frequently Asked Questions

What is the IUPAC name of 3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;hydrochloride?
The IUPAC name of 3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;hydrochloride (CID 172912361) is 3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;hydrochloride.
What is the SMILES notation for 3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;hydrochloride?
The canonical SMILES for 3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;hydrochloride is Cc1ccn(CC2CCCNC2)c(=O)c1C(=O)N1C[C@H]2CCC[C@H]2C1.Cl.
What is the InChIKey of 3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;hydrochloride?
The InChIKey is QSVUVCRUHJAKJB-ZXVFAPHLSA-N. The full InChI is InChI=1S/C20H29N3O2.ClH/c1-14-7-9-22(11-15-4-3-8-21-10-15)19(24)18(14)20(25)23-12-16-5-2-6-17(16)13-23;/h7,9,15-17,21H,2-6,8,10-13H2,1H3;1H/t15?,16-,17+;.
What are the key properties of 3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;hydrochloride?
3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;hydrochloride is sourced from PubChem (CID 172912361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).