2-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide

C17H22Cl2N2O — CID 119555338

IUPAC2-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCC1CCCNC1)C1CC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H22Cl2N2O/c18-12-3-4-13(16(19)8-12)14-9-15(14)17(22)21-7-5-11-2-1-6-20-10-11/h3-4,8,11,14-15,20H,1-2,5-7,9-10H2,(H,21,22)
InChIKeyRXXTWYWYWOBGEF-UHFFFAOYSA-N
MW341.28 g/mol
LogP3.60
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide

2-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide (PubChem CID 119555338) has the molecular formula C17H22Cl2N2O and a molecular weight of 341.28 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide
PubChem CID119555338
Molecular FormulaC17H22Cl2N2O
Molecular Weight341.28 g/mol
Exact Mass340.11
IUPAC Name2-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCC1CCCNC1)C1CC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H22Cl2N2O/c18-12-3-4-13(16(19)8-12)14-9-15(14)17(22)21-7-5-11-2-1-6-20-10-11/h3-4,8,11,14-15,20H,1-2,5-7,9-10H2,(H,21,22)
InChIKeyRXXTWYWYWOBGEF-UHFFFAOYSA-N
XLogP3.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide
CID 119557840
2-(2,4-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119536420
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186
2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide
CID 119462854
2-(2,4-dichlorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119429856
2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119462853
4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 107990343
2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119559044
2-(3-chlorophenyl)-2-methyl-N-(2-piperidin-3-ylethyl)propanamide
CID 119555390
2-(4-propan-2-ylphenyl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119533821
1-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119559418
3,6-dichloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide
CID 119558468

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide (CID 119555338) is 2-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide is O=C(NCCC1CCCNC1)C1CC1c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is RXXTWYWYWOBGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O/c18-12-3-4-13(16(19)8-12)14-9-15(14)17(22)21-7-5-11-2-1-6-20-10-11/h3-4,8,11,14-15,20H,1-2,5-7,9-10H2,(H,21,22).
What are the key properties of 2-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide?
2-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 341.28 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119555338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).