N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride

C17H25ClF2N2O — CID 119716485

IUPACN-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(NC(=O)CC(C)C1CCCNC1)c1c(F)cccc1F.Cl
InChIInChI=1S/C17H24F2N2O.ClH/c1-11(13-5-4-8-20-10-13)9-16(22)21-12(2)17-14(18)6-3-7-15(17)19;/h3,6-7,11-13,20H,4-5,8-10H2,1-2H3,(H,21,22);1H
InChIKeyVIUBYAZHMQQXNP-UHFFFAOYSA-N
MW346.85 g/mol
LogP3.59
Rot. Bonds5

About N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119716485) has the molecular formula C17H25ClF2N2O and a molecular weight of 346.85 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119716485
Molecular FormulaC17H25ClF2N2O
Molecular Weight346.85 g/mol
Exact Mass346.16
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(NC(=O)CC(C)C1CCCNC1)c1c(F)cccc1F.Cl
InChIInChI=1S/C17H24F2N2O.ClH/c1-11(13-5-4-8-20-10-13)9-16(22)21-12(2)17-14(18)6-3-7-15(17)19;/h3,6-7,11-13,20H,4-5,8-10H2,1-2H3,(H,21,22);1H
InChIKeyVIUBYAZHMQQXNP-UHFFFAOYSA-N
XLogP3.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.85
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119716767
N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119686367
3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride
CID 119687075
N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716419
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119745659
3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119686323
3-piperidin-3-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119706901
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705827
3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81404285
3-piperidin-3-yl-N-(1-pyridin-3-ylethyl)butanamide
CID 81043571
N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-3-ylbutanamide
CID 119815265

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119716485) is N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(NC(=O)CC(C)C1CCCNC1)c1c(F)cccc1F.Cl.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is VIUBYAZHMQQXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O.ClH/c1-11(13-5-4-8-20-10-13)9-16(22)21-12(2)17-14(18)6-3-7-15(17)19;/h3,6-7,11-13,20H,4-5,8-10H2,1-2H3,(H,21,22);1H.
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 346.85 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119716485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).