[2-(3,4-dichlorophenyl)cyclopropyl]-[4-[3-(dimethylamino)propyl]piperidin-1-yl]methanone

C20H28Cl2N2O — CID 75437645

IUPAC[2-(3,4-dichlorophenyl)cyclopropyl]-[4-[3-(dimethylamino)propyl]piperidin-1-yl]methanone
SMILESCN(C)CCCC1CCN(C(=O)C2CC2c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C20H28Cl2N2O/c1-23(2)9-3-4-14-7-10-24(11-8-14)20(25)17-13-16(17)15-5-6-18(21)19(22)12-15/h5-6,12,14,16-17H,3-4,7-11,13H2,1-2H3
InChIKeyRVPKXTJAXWCHIT-UHFFFAOYSA-N
MW383.36 g/mol
LogP4.68
Rot. Bonds6

About [2-(3,4-dichlorophenyl)cyclopropyl]-[4-[3-(dimethylamino)propyl]piperidin-1-yl]methanone

[2-(3,4-dichlorophenyl)cyclopropyl]-[4-[3-(dimethylamino)propyl]piperidin-1-yl]methanone (PubChem CID 75437645) has the molecular formula C20H28Cl2N2O and a molecular weight of 383.36 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)cyclopropyl]-[4-[3-(dimethylamino)propyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)cyclopropyl]-[4-[3-(dimethylamino)propyl]piperidin-1-yl]methanone
PubChem CID75437645
Molecular FormulaC20H28Cl2N2O
Molecular Weight383.36 g/mol
Exact Mass382.16
IUPAC Name[2-(3,4-dichlorophenyl)cyclopropyl]-[4-[3-(dimethylamino)propyl]piperidin-1-yl]methanone
SMILESCN(C)CCCC1CCN(C(=O)C2CC2c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C20H28Cl2N2O/c1-23(2)9-3-4-14-7-10-24(11-8-14)20(25)17-13-16(17)15-5-6-18(21)19(22)12-15/h5-6,12,14,16-17H,3-4,7-11,13H2,1-2H3
InChIKeyRVPKXTJAXWCHIT-UHFFFAOYSA-N
XLogP4.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [2-(3,4-dichlorophenyl)cyclopropyl]-[4-[3-(dimethylamino)propyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[2-(3,4-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119539791
[(3R)-3-aminopiperidin-1-yl]-[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone
CID 124623000
[(3R)-3-aminopiperidin-1-yl]-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone
CID 124623002
(3S,4S)-1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951480
1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251874
1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 97012183
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3,4-dichlorophenyl)cyclopropyl]methanone
CID 120806325
(3R)-1-[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide
CID 98760990
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
[4-(aminomethyl)piperidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone
CID 119423325
N-[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-2-fluorobenzamide
CID 86885736
(4-aminopiperidin-1-yl)-[2-(3-chlorophenyl)cyclopropyl]methanone
CID 119374366

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)cyclopropyl]-[4-[3-(dimethylamino)propyl]piperidin-1-yl]methanone?
The IUPAC name of [2-(3,4-dichlorophenyl)cyclopropyl]-[4-[3-(dimethylamino)propyl]piperidin-1-yl]methanone (CID 75437645) is [2-(3,4-dichlorophenyl)cyclopropyl]-[4-[3-(dimethylamino)propyl]piperidin-1-yl]methanone.
What is the SMILES notation for [2-(3,4-dichlorophenyl)cyclopropyl]-[4-[3-(dimethylamino)propyl]piperidin-1-yl]methanone?
The canonical SMILES for [2-(3,4-dichlorophenyl)cyclopropyl]-[4-[3-(dimethylamino)propyl]piperidin-1-yl]methanone is CN(C)CCCC1CCN(C(=O)C2CC2c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of [2-(3,4-dichlorophenyl)cyclopropyl]-[4-[3-(dimethylamino)propyl]piperidin-1-yl]methanone?
The InChIKey is RVPKXTJAXWCHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28Cl2N2O/c1-23(2)9-3-4-14-7-10-24(11-8-14)20(25)17-13-16(17)15-5-6-18(21)19(22)12-15/h5-6,12,14,16-17H,3-4,7-11,13H2,1-2H3.
What are the key properties of [2-(3,4-dichlorophenyl)cyclopropyl]-[4-[3-(dimethylamino)propyl]piperidin-1-yl]methanone?
[2-(3,4-dichlorophenyl)cyclopropyl]-[4-[3-(dimethylamino)propyl]piperidin-1-yl]methanone has a molecular weight of 383.36 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)cyclopropyl]-[4-[3-(dimethylamino)propyl]piperidin-1-yl]methanone is sourced from PubChem (CID 75437645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).