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

C22H27FN2O — CID 119815265

IUPACN-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NC(c1ccccc1)c1cccc(F)c1)C1CCCNC1
InChIInChI=1S/C22H27FN2O/c1-16(19-10-6-12-24-15-19)13-21(26)25-22(17-7-3-2-4-8-17)18-9-5-11-20(23)14-18/h2-5,7-9,11,14,16,19,22,24H,6,10,12-13,15H2,1H3,(H,25,26)
InChIKeyCLMQDDSVQSRWOB-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.06
Rot. Bonds6

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

N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-3-ylbutanamide (PubChem CID 119815265) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-3-ylbutanamide
PubChem CID119815265
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC NameN-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NC(c1ccccc1)c1cccc(F)c1)C1CCCNC1
InChIInChI=1S/C22H27FN2O/c1-16(19-10-6-12-24-15-19)13-21(26)25-22(17-7-3-2-4-8-17)18-9-5-11-20(23)14-18/h2-5,7-9,11,14,16,19,22,24H,6,10,12-13,15H2,1H3,(H,25,26)
InChIKeyCLMQDDSVQSRWOB-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-4-ylbutanamide
CID 119815273
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705827
N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide
CID 81047426
N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide
CID 119805764
3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119686323
N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716485
N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716419
N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119805763
N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119799463
N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide
CID 119851531
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119745659

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-3-ylbutanamide (CID 119815265) is N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)NC(c1ccccc1)c1cccc(F)c1)C1CCCNC1.
What is the InChIKey of N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-3-ylbutanamide?
The InChIKey is CLMQDDSVQSRWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-16(19-10-6-12-24-15-19)13-21(26)25-22(17-7-3-2-4-8-17)18-9-5-11-20(23)14-18/h2-5,7-9,11,14,16,19,22,24H,6,10,12-13,15H2,1H3,(H,25,26).
What are the key properties of N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-3-ylbutanamide?
N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-3-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-3-ylbutanamide is sourced from PubChem (CID 119815265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).