[6-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone

C19H24ClN3O — CID 133322869

IUPAC[6-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(N2CC3CC=CCC3C2)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C19H24ClN3O/c20-17-10-16(19(24)22-8-4-1-5-9-22)11-21-18(17)23-12-14-6-2-3-7-15(14)13-23/h2-3,10-11,14-15H,1,4-9,12-13H2
InChIKeyVQNAQSWMMKAFEH-UHFFFAOYSA-N
MW345.87 g/mol
LogP3.76
Rot. Bonds2

About [6-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone

[6-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 133322869) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is [6-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID133322869
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name[6-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(N2CC3CC=CCC3C2)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C19H24ClN3O/c20-17-10-16(19(24)22-8-4-1-5-9-22)11-21-18(17)23-12-14-6-2-3-7-15(14)13-23/h2-3,10-11,14-15H,1,4-9,12-13H2
InChIKeyVQNAQSWMMKAFEH-UHFFFAOYSA-N
XLogP3.76
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [6-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone 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

[5-chloro-6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270898
[4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 133270887
[5-chloro-6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271248
[4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 56584912
N-[1-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]-N-methylethanesulfonamide
CID 133295403
[5-chloro-6-[4-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 167831126
tert-butyl N-[1-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 133293163
[5-chloro-6-[2-(2-methylphenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133354115
[5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270710
[5-chloro-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133335857
[5-chloro-6-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56587274
[5-chloro-6-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 10320691

Frequently Asked Questions

What is the IUPAC name of [6-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [6-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone (CID 133322869) is [6-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone is O=C(c1cnc(N2CC3CC=CCC3C2)c(Cl)c1)N1CCCCC1.
What is the InChIKey of [6-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is VQNAQSWMMKAFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c20-17-10-16(19(24)22-8-4-1-5-9-22)11-21-18(17)23-12-14-6-2-3-7-15(14)13-23/h2-3,10-11,14-15H,1,4-9,12-13H2.
What are the key properties of [6-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone?
[6-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 345.87 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 133322869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).