N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride

C16H23ClF2N2O — CID 119705537

IUPACN-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCc1ccc(F)c(F)c1)C1CCCNC1.Cl
InChIInChI=1S/C16H22F2N2O.ClH/c1-11(13-3-2-6-19-10-13)7-16(21)20-9-12-4-5-14(17)15(18)8-12;/h4-5,8,11,13,19H,2-3,6-7,9-10H2,1H3,(H,20,21);1H
InChIKeyZYCWIPCRUZRBGB-UHFFFAOYSA-N
MW332.82 g/mol
LogP3.03
Rot. Bonds5

About N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119705537) has the molecular formula C16H23ClF2N2O and a molecular weight of 332.82 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119705537
Molecular FormulaC16H23ClF2N2O
Molecular Weight332.82 g/mol
Exact Mass332.15
IUPAC NameN-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCc1ccc(F)c(F)c1)C1CCCNC1.Cl
InChIInChI=1S/C16H22F2N2O.ClH/c1-11(13-3-2-6-19-10-13)7-16(21)20-9-12-4-5-14(17)15(18)8-12;/h4-5,8,11,13,19H,2-3,6-7,9-10H2,1H3,(H,20,21);1H
InChIKeyZYCWIPCRUZRBGB-UHFFFAOYSA-N
XLogP3.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.82
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-piperidin-3-ylbutanamide
CID 119886350
N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119686367
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119847444
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714575
3-piperidin-3-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119730353
3-piperidin-3-yl-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119731383
ethyl 4-[(3-piperidin-3-ylbutanoylamino)methyl]benzoate;hydrochloride
CID 119746508
N-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119698471
N-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119712153
3-[(3-piperidin-3-ylbutanoylamino)methyl]-N-propylbenzamide
CID 119719799
N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-3-piperidin-3-ylbutanamide
CID 119803049
3-piperidin-3-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride
CID 119399577

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119705537) is N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)NCc1ccc(F)c(F)c1)C1CCCNC1.Cl.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is ZYCWIPCRUZRBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O.ClH/c1-11(13-3-2-6-19-10-13)7-16(21)20-9-12-4-5-14(17)15(18)8-12;/h4-5,8,11,13,19H,2-3,6-7,9-10H2,1H3,(H,20,21);1H.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 332.82 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119705537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).