2-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide;hydrochloride

C18H25Cl3N2O — CID 119824177

IUPAC2-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide;hydrochloride
SMILESCCCN(C(=O)C1CC1c1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C18H24Cl2N2O.ClH/c1-2-9-22(13-5-7-21-8-6-13)18(23)15-11-14(15)12-3-4-16(19)17(20)10-12;/h3-4,10,13-15,21H,2,5-9,11H2,1H3;1H
InChIKeyLYFAJTMQHVHUOF-UHFFFAOYSA-N
MW391.77 g/mol
LogP4.51
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide;hydrochloride

2-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 119824177) has the molecular formula C18H25Cl3N2O and a molecular weight of 391.77 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide;hydrochloride
PubChem CID119824177
Molecular FormulaC18H25Cl3N2O
Molecular Weight391.77 g/mol
Exact Mass390.10
IUPAC Name2-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide;hydrochloride
SMILESCCCN(C(=O)C1CC1c1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C18H24Cl2N2O.ClH/c1-2-9-22(13-5-7-21-8-6-13)18(23)15-11-14(15)12-3-4-16(19)17(20)10-12;/h3-4,10,13-15,21H,2,5-9,11H2,1H3;1H
InChIKeyLYFAJTMQHVHUOF-UHFFFAOYSA-N
XLogP4.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.77
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide
CID 119442332
2-phenyl-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide
CID 81494194
2-methyl-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide
CID 60806583
4-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119824958
6-[piperidin-4-yl(propyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 61403429
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
2-chloro-5-methylsulfanyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825165
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-(1,1-dioxothian-4-yl)-N-methylcyclopropane-1-carboxamide
CID 95784529
trans-(1R,2R)-N,N-bis(cyanomethyl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 95247693
2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide
CID 119451122
2-(3,4-difluorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide
CID 119443668

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide;hydrochloride (CID 119824177) is 2-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide;hydrochloride is CCCN(C(=O)C1CC1c1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is LYFAJTMQHVHUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O.ClH/c1-2-9-22(13-5-7-21-8-6-13)18(23)15-11-14(15)12-3-4-16(19)17(20)10-12;/h3-4,10,13-15,21H,2,5-9,11H2,1H3;1H.
What are the key properties of 2-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide;hydrochloride?
2-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 391.77 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119824177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).