N-(cyclopropylmethyl)-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride

C16H21ClF2N2O — CID 172648880

IUPACN-(cyclopropylmethyl)-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride
SMILESCl.O=C(NCC1CC1)c1cc(F)c(F)c(C2CCNCC2)c1
InChIInChI=1S/C16H20F2N2O.ClH/c17-14-8-12(16(21)20-9-10-1-2-10)7-13(15(14)18)11-3-5-19-6-4-11;/h7-8,10-11,19H,1-6,9H2,(H,20,21);1H
InChIKeyILDNHICLRIXLGL-UHFFFAOYSA-N
MW330.81 g/mol
LogP2.99
Rot. Bonds4

About N-(cyclopropylmethyl)-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride

N-(cyclopropylmethyl)-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 172648880) has the molecular formula C16H21ClF2N2O and a molecular weight of 330.81 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride
PubChem CID172648880
Molecular FormulaC16H21ClF2N2O
Molecular Weight330.81 g/mol
Exact Mass330.13
IUPAC NameN-(cyclopropylmethyl)-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride
SMILESCl.O=C(NCC1CC1)c1cc(F)c(F)c(C2CCNCC2)c1
InChIInChI=1S/C16H20F2N2O.ClH/c17-14-8-12(16(21)20-9-10-1-2-10)7-13(15(14)18)11-3-5-19-6-4-11;/h7-8,10-11,19H,1-6,9H2,(H,20,21);1H
InChIKeyILDNHICLRIXLGL-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-3-fluoro-5-piperidin-4-ylbenzamide
CID 165436081
N,N-diethyl-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride
CID 172648900
3,4-difluoro-5-piperidin-4-ylbenzamide
CID 172648867
N-[(4-ethylcyclohexyl)methyl]-3,4,5-trifluorobenzamide
CID 63482414
3,4,5-trifluoro-N-(oxan-4-ylmethyl)benzamide
CID 63235633
N-(cyclopropylmethyl)-5-piperidin-4-ylnaphthalene-2-carboxamide
CID 171396916
(3,4-difluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone
CID 172648907
N-ethyl-3-fluoro-4-piperidin-4-ylbenzamide
CID 169452670
N-(cyclopropylmethyl)-2-methyl-3-piperidin-4-ylbenzamide
CID 171362054
3-fluoro-N-(2-methylpropyl)-4-piperidin-4-ylbenzamide;hydrochloride
CID 169452677
N-(cyclopropylmethyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide
CID 112708128
3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64910898

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of N-(cyclopropylmethyl)-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride (CID 172648880) is N-(cyclopropylmethyl)-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for N-(cyclopropylmethyl)-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for N-(cyclopropylmethyl)-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride is Cl.O=C(NCC1CC1)c1cc(F)c(F)c(C2CCNCC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is ILDNHICLRIXLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O.ClH/c17-14-8-12(16(21)20-9-10-1-2-10)7-13(15(14)18)11-3-5-19-6-4-11;/h7-8,10-11,19H,1-6,9H2,(H,20,21);1H.
What are the key properties of N-(cyclopropylmethyl)-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride?
N-(cyclopropylmethyl)-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 330.81 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 172648880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).