6,7-dichloro-4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one

C21H26Cl2N2O2 — CID 15132424

IUPAC6,7-dichloro-4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCC(C(=O)N2CCCCC2CN2CCCC2)c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C21H26Cl2N2O2/c22-18-11-16-15(6-7-20(26)17(16)12-19(18)23)21(27)25-10-2-1-5-14(25)13-24-8-3-4-9-24/h11-12,14-15H,1-10,13H2
InChIKeyMJQJFPMVQSBWJT-UHFFFAOYSA-N
MW409.36 g/mol
LogP4.53
Rot. Bonds3

About 6,7-dichloro-4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one

6,7-dichloro-4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 15132424) has the molecular formula C21H26Cl2N2O2 and a molecular weight of 409.36 g/mol. Its IUPAC name is 6,7-dichloro-4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6,7-dichloro-4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID15132424
Molecular FormulaC21H26Cl2N2O2
Molecular Weight409.36 g/mol
Exact Mass408.14
IUPAC Name6,7-dichloro-4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCC(C(=O)N2CCCCC2CN2CCCC2)c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C21H26Cl2N2O2/c22-18-11-16-15(6-7-20(26)17(16)12-19(18)23)21(27)25-10-2-1-5-14(25)13-24-8-3-4-9-24/h11-12,14-15H,1-10,13H2
InChIKeyMJQJFPMVQSBWJT-UHFFFAOYSA-N
XLogP4.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,7-dichloro-4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-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

2-(3,4-dichlorophenyl)-1-[(2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 44448394
1-(4-Benzoyl-2-pyrrolidin-1-ylmethyl-piperazin-1-yl)-2-(3,4-dichloro-phenyl)-ethanone
CID 15645961
1-(3,4-Dichlorophenyl)-2-[2-(piperidine-1-carbonyl)phenyl]ethane-1,2-dione
CID 44411468
5,6-Dichloro-3-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one
CID 15132408
5,6-Dichloro-3-[3-(pyrrolidin-1-ylmethyl)thiomorpholine-4-carbonyl]-2,3-dihydroinden-1-one
CID 15730164
6,7-dichloro-4-[3-(pyrrolidin-1-ylmethyl)thiomorpholine-4-carbonyl]-3,4-dihydro-2H-naphthalen-1-one
CID 15730170
6,7-dichloro-4-[3-(piperidin-1-ylmethyl)thiomorpholine-4-carbonyl]-3,4-dihydro-2H-naphthalen-1-one
CID 18914984
(6,7-Dichloro-1,2,3,4-tetrahydronaphthalen-1-yl)-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]methanone
CID 18915140
2-(3,4-dichlorophenyl)-1-[3-(pyrrolidin-1-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]ethanone
CID 44209561
2-(3,4-dichlorophenyl)-1-[1-(pyrrolidin-1-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]ethanone
CID 44209563
(3S)-5,6-dichloro-3-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one
CID 11741374
(3R)-5,6-dichloro-3-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one
CID 15132409

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6,7-dichloro-4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one (CID 15132424) is 6,7-dichloro-4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6,7-dichloro-4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6,7-dichloro-4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one is O=C1CCC(C(=O)N2CCCCC2CN2CCCC2)c2cc(Cl)c(Cl)cc21.
What is the InChIKey of 6,7-dichloro-4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is MJQJFPMVQSBWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N2O2/c22-18-11-16-15(6-7-20(26)17(16)12-19(18)23)21(27)25-10-2-1-5-14(25)13-24-8-3-4-9-24/h11-12,14-15H,1-10,13H2.
What are the key properties of 6,7-dichloro-4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one?
6,7-dichloro-4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 409.36 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 15132424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).