1-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one

C21H26Cl2N2O3 — CID 55980544

IUPAC1-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(C(=O)N2CCC(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1
InChIInChI=1S/C21H26Cl2N2O3/c1-2-19(26)25-9-3-4-16(13-25)21(28)24-10-7-14(8-11-24)20(27)15-5-6-17(22)18(23)12-15/h5-6,12,14,16H,2-4,7-11,13H2,1H3
InChIKeyNJQUAQRHYJANPF-UHFFFAOYSA-N
MW425.36 g/mol
LogP4.06
Rot. Bonds4

About 1-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one

1-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one (PubChem CID 55980544) has the molecular formula C21H26Cl2N2O3 and a molecular weight of 425.36 g/mol. Its IUPAC name is 1-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
PubChem CID55980544
Molecular FormulaC21H26Cl2N2O3
Molecular Weight425.36 g/mol
Exact Mass424.13
IUPAC Name1-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(C(=O)N2CCC(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1
InChIInChI=1S/C21H26Cl2N2O3/c1-2-19(26)25-9-3-4-16(13-25)21(28)24-10-7-14(8-11-24)20(27)15-5-6-17(22)18(23)12-15/h5-6,12,14,16H,2-4,7-11,13H2,1H3
InChIKeyNJQUAQRHYJANPF-UHFFFAOYSA-N
XLogP4.06
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.36
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55632984
[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 60589629
1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 55813432
(3,4-dichlorophenyl)-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]methanone
CID 94796993
cycloheptyl-(3,4-dichlorophenyl)methanone
CID 63490974
cyclohexyl-(3,4-dichlorophenyl)methanone
CID 11601310
cyclobutyl-(3,4-dichlorophenyl)methanone
CID 24724150
cyclopropyl-(3,4-dichlorophenyl)methanone
CID 19806646
cyclohexyl-[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 108543908
5-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]-N,N-diethyl-5-oxopentanamide
CID 56520872
tert-butyl 4-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 55634686
1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 113003020

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one (CID 55980544) is 1-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCCC(C(=O)N2CCC(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1.
What is the InChIKey of 1-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one?
The InChIKey is NJQUAQRHYJANPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N2O3/c1-2-19(26)25-9-3-4-16(13-25)21(28)24-10-7-14(8-11-24)20(27)15-5-6-17(22)18(23)12-15/h5-6,12,14,16H,2-4,7-11,13H2,1H3.
What are the key properties of 1-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one?
1-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one has a molecular weight of 425.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 55980544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).