N-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide

C17H25FN2O — CID 119698471

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide
SMILESCc1cc(CNC(=O)CC(C)C2CCNCC2)ccc1F
InChIInChI=1S/C17H25FN2O/c1-12(15-5-7-19-8-6-15)10-17(21)20-11-14-3-4-16(18)13(2)9-14/h3-4,9,12,15,19H,5-8,10-11H2,1-2H3,(H,20,21)
InChIKeyFKDUSZIMDLFMTA-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.78
Rot. Bonds5

About N-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide

N-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide (PubChem CID 119698471) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide
PubChem CID119698471
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide
SMILESCc1cc(CNC(=O)CC(C)C2CCNCC2)ccc1F
InChIInChI=1S/C17H25FN2O/c1-12(15-5-7-19-8-6-15)10-17(21)20-11-14-3-4-16(18)13(2)9-14/h3-4,9,12,15,19H,5-8,10-11H2,1-2H3,(H,20,21)
InChIKeyFKDUSZIMDLFMTA-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119715963
N-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119674855
3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119696658
N-[[4-(1-hydroxyethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119737467
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119863385
N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705537
N-[[4-(methoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718138
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119864547
N-[[4-(ethoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718287
3-piperidin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]butanamide
CID 119699236
2-amino-4-[(4-fluoro-3-methylphenyl)methylamino]-4-oxobutanoic acid
CID 115181057
N-[(4-fluoro-3-methylphenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63298312

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide (CID 119698471) is N-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide is Cc1cc(CNC(=O)CC(C)C2CCNCC2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide?
The InChIKey is FKDUSZIMDLFMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-12(15-5-7-19-8-6-15)10-17(21)20-11-14-3-4-16(18)13(2)9-14/h3-4,9,12,15,19H,5-8,10-11H2,1-2H3,(H,20,21).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide?
N-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide has a molecular weight of 292.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119698471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).