3-(2,3-difluorophenyl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride

C15H21ClF2N2O — CID 119441407

IUPAC3-(2,3-difluorophenyl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
SMILESCN(C(=O)CCc1cccc(F)c1F)C1CCNCC1.Cl
InChIInChI=1S/C15H20F2N2O.ClH/c1-19(12-7-9-18-10-8-12)14(20)6-5-11-3-2-4-13(16)15(11)17;/h2-4,12,18H,5-10H2,1H3;1H
InChIKeyWLZSZYYRVFVCPH-UHFFFAOYSA-N
MW318.79 g/mol
LogP2.53
Rot. Bonds4

About 3-(2,3-difluorophenyl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride

3-(2,3-difluorophenyl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride (PubChem CID 119441407) has the molecular formula C15H21ClF2N2O and a molecular weight of 318.79 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
PubChem CID119441407
Molecular FormulaC15H21ClF2N2O
Molecular Weight318.79 g/mol
Exact Mass318.13
IUPAC Name3-(2,3-difluorophenyl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
SMILESCN(C(=O)CCc1cccc(F)c1F)C1CCNCC1.Cl
InChIInChI=1S/C15H20F2N2O.ClH/c1-19(12-7-9-18-10-8-12)14(20)6-5-11-3-2-4-13(16)15(11)17;/h2-4,12,18H,5-10H2,1H3;1H
InChIKeyWLZSZYYRVFVCPH-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-difluorophenyl)-N-methyl-N-piperidin-4-ylpropanamide
CID 119443603
2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444296
3-(2,3-difluorophenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119386108
2-(2-chloro-6-fluorophenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 43602048
N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide;hydrochloride
CID 119442471
2-[cyclopropyl-[3-(2,3-difluorophenyl)propanoyl]amino]propanoic acid
CID 119202832
2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554382
N-(azepan-4-yl)-N-methyl-3-phenylpropanamide
CID 104974503
N-(azepan-4-yl)-2-(2-chloro-6-fluorophenyl)-N-methylacetamide
CID 104974489
3-(2,3-difluorophenyl)-1-piperazin-1-ylpropan-1-one
CID 83925483
4-(2-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119550997
2-(2-bromophenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 83749686

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride?
The IUPAC name of 3-(2,3-difluorophenyl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride (CID 119441407) is 3-(2,3-difluorophenyl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-(2,3-difluorophenyl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride?
The canonical SMILES for 3-(2,3-difluorophenyl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride is CN(C(=O)CCc1cccc(F)c1F)C1CCNCC1.Cl.
What is the InChIKey of 3-(2,3-difluorophenyl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride?
The InChIKey is WLZSZYYRVFVCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O.ClH/c1-19(12-7-9-18-10-8-12)14(20)6-5-11-3-2-4-13(16)15(11)17;/h2-4,12,18H,5-10H2,1H3;1H.
What are the key properties of 3-(2,3-difluorophenyl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride?
3-(2,3-difluorophenyl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride has a molecular weight of 318.79 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride is sourced from PubChem (CID 119441407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).