N,N-diethyl-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride

C16H23ClF2N2O — CID 172648900

IUPACN,N-diethyl-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1cc(F)c(F)c(C2CCNCC2)c1.Cl
InChIInChI=1S/C16H22F2N2O.ClH/c1-3-20(4-2)16(21)12-9-13(15(18)14(17)10-12)11-5-7-19-8-6-11;/h9-11,19H,3-8H2,1-2H3;1H
InChIKeyCQTKOFVHFAADBO-UHFFFAOYSA-N
MW332.82 g/mol
LogP3.34
Rot. Bonds4

About N,N-diethyl-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride

N,N-diethyl-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 172648900) has the molecular formula C16H23ClF2N2O and a molecular weight of 332.82 g/mol. Its IUPAC name is N,N-diethyl-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride
PubChem CID172648900
Molecular FormulaC16H23ClF2N2O
Molecular Weight332.82 g/mol
Exact Mass332.15
IUPAC NameN,N-diethyl-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1cc(F)c(F)c(C2CCNCC2)c1.Cl
InChIInChI=1S/C16H22F2N2O.ClH/c1-3-20(4-2)16(21)12-9-13(15(18)14(17)10-12)11-5-7-19-8-6-11;/h9-11,19H,3-8H2,1-2H3;1H
InChIKeyCQTKOFVHFAADBO-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.82
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-difluoro-5-piperidin-4-ylbenzamide
CID 172648867
N-(cyclopropylmethyl)-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride
CID 172648880
N,N-diethyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride
CID 171365241
N-(cyclopropylmethyl)-N-ethyl-3,4,5-trifluorobenzamide
CID 63954344
(3,4-difluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone
CID 172648907
N-ethyl-3-fluoro-4-piperidin-4-ylbenzamide
CID 169452670
4-[5-(difluoromethyl)-2,3-difluorophenyl]piperidine
CID 84706137
3-fluoro-N-(2-methylpropyl)-4-piperidin-4-ylbenzamide;hydrochloride
CID 169452677
4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride
CID 169452693
N-(3-aminopropyl)-N-ethyl-3,4,5-trifluorobenzamide
CID 63183829
N,N-diethyl-2-methyl-4-piperidin-4-ylbenzamide
CID 169452618
N,N-diethyl-4-(ethylamino)-3,5-difluorobenzamide
CID 55160588

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of N,N-diethyl-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride (CID 172648900) is N,N-diethyl-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for N,N-diethyl-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for N,N-diethyl-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride is CCN(CC)C(=O)c1cc(F)c(F)c(C2CCNCC2)c1.Cl.
What is the InChIKey of N,N-diethyl-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is CQTKOFVHFAADBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O.ClH/c1-3-20(4-2)16(21)12-9-13(15(18)14(17)10-12)11-5-7-19-8-6-11;/h9-11,19H,3-8H2,1-2H3;1H.
What are the key properties of N,N-diethyl-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride?
N,N-diethyl-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 332.82 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 172648900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).