2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide;hydrochloride

C16H21ClF2N2O — CID 119462853

IUPAC2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)C1CC1c1ccc(F)cc1F
InChIInChI=1S/C16H20F2N2O.ClH/c17-11-3-4-12(15(18)6-11)13-7-14(13)16(21)20-9-10-2-1-5-19-8-10;/h3-4,6,10,13-14,19H,1-2,5,7-9H2,(H,20,21);1H
InChIKeyXYVQSNRRXMGZSW-UHFFFAOYSA-N
MW330.81 g/mol
LogP2.61
Rot. Bonds4

About 2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide;hydrochloride

2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119462853) has the molecular formula C16H21ClF2N2O and a molecular weight of 330.81 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119462853
Molecular FormulaC16H21ClF2N2O
Molecular Weight330.81 g/mol
Exact Mass330.13
IUPAC Name2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)C1CC1c1ccc(F)cc1F
InChIInChI=1S/C16H20F2N2O.ClH/c17-11-3-4-12(15(18)6-11)13-7-14(13)16(21)20-9-10-2-1-5-19-8-10;/h3-4,6,10,13-14,19H,1-2,5,7-9H2,(H,20,21);1H
InChIKeyXYVQSNRRXMGZSW-UHFFFAOYSA-N
XLogP2.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide
CID 119462854
2-(2,4-difluorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide
CID 119557840
cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 97076812
2-(2,4-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119536420
cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 97076783
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462396
2-(2,4-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120555147
cis-(1R,2S)-N-[2-(cyclopropylmethoxy)ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 95625521
2-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide
CID 119555338
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide
CID 119464046
2-(2,4-difluorophenyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide
CID 86945405

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide;hydrochloride (CID 119462853) is 2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide;hydrochloride is Cl.O=C(NCC1CCCNC1)C1CC1c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is XYVQSNRRXMGZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O.ClH/c17-11-3-4-12(15(18)6-11)13-7-14(13)16(21)20-9-10-2-1-5-19-8-10;/h3-4,6,10,13-14,19H,1-2,5,7-9H2,(H,20,21);1H.
What are the key properties of 2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide;hydrochloride?
2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 330.81 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119462853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).