N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-4-ylbutanamide

C22H27FN2O — CID 119815273

IUPACN-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NC(c1ccccc1)c1cccc(F)c1)C1CCNCC1
InChIInChI=1S/C22H27FN2O/c1-16(17-10-12-24-13-11-17)14-21(26)25-22(18-6-3-2-4-7-18)19-8-5-9-20(23)15-19/h2-9,15-17,22,24H,10-14H2,1H3,(H,25,26)
InChIKeyNJPKFOHXLSQWHG-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.06
Rot. Bonds6

About N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-4-ylbutanamide

N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-4-ylbutanamide (PubChem CID 119815273) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-4-ylbutanamide
PubChem CID119815273
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC NameN-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NC(c1ccccc1)c1cccc(F)c1)C1CCNCC1
InChIInChI=1S/C22H27FN2O/c1-16(17-10-12-24-13-11-17)14-21(26)25-22(18-6-3-2-4-7-18)19-8-5-9-20(23)15-19/h2-9,15-17,22,24H,10-14H2,1H3,(H,25,26)
InChIKeyNJPKFOHXLSQWHG-UHFFFAOYSA-N
XLogP4.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-3-ylbutanamide
CID 119815265
N-(1,1-diphenylpropan-2-yl)-3-piperidin-4-ylbutanamide
CID 119716630
N-[(3-fluorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
CID 119815281
N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-4-ylbutanamide
CID 119799474
N-[2-(3-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119758092
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119865999
methyl 2-methyl-3-phenyl-3-(3-piperidin-4-ylbutanoylamino)propanoate
CID 119818562
N-(3-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119740430
N-[2-(3-fluorophenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119796132
N-(2-phenoxy-1-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119779875
N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676987
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-4-ylbutanamide (CID 119815273) is N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)NC(c1ccccc1)c1cccc(F)c1)C1CCNCC1.
What is the InChIKey of N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-4-ylbutanamide?
The InChIKey is NJPKFOHXLSQWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-16(17-10-12-24-13-11-17)14-21(26)25-22(18-6-3-2-4-7-18)19-8-5-9-20(23)15-19/h2-9,15-17,22,24H,10-14H2,1H3,(H,25,26).
What are the key properties of N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-4-ylbutanamide?
N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-4-ylbutanamide has a molecular weight of 354.47 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119815273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).