N-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide

C28H31FN2O — CID 2903539

IUPACN-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(C1CCN(Cc2ccc(F)cc2)CC1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H31FN2O/c29-27-13-11-25(12-14-27)21-30-18-16-26(17-19-30)28(32)31(22-24-9-5-2-6-10-24)20-15-23-7-3-1-4-8-23/h1-14,26H,15-22H2
InChIKeyMFELZSOBTNRDDQ-UHFFFAOYSA-N
MW430.57 g/mol
LogP5.31
Rot. Bonds8

About N-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide

N-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 2903539) has the molecular formula C28H31FN2O and a molecular weight of 430.57 g/mol. Its IUPAC name is N-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID2903539
Molecular FormulaC28H31FN2O
Molecular Weight430.57 g/mol
Exact Mass430.24
IUPAC NameN-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(C1CCN(Cc2ccc(F)cc2)CC1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H31FN2O/c29-27-13-11-25(12-14-27)21-30-18-16-26(17-19-30)28(32)31(22-24-9-5-2-6-10-24)20-15-23-7-3-1-4-8-23/h1-14,26H,15-22H2
InChIKeyMFELZSOBTNRDDQ-UHFFFAOYSA-N
XLogP5.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.57
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Benzhydrylpiperazin-1-yl)(cyclohexyl)methanone
CID 994313
(4-Benzylpiperidin-1-yl)(2-fluorophenyl)methanone
CID 667749
N-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide hydrochloride
CID 14553502
1-(1-acetylpiperidine-4-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-5-phenyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 23146876
N,N-dibenzyl-2,6-difluorobenzamide
CID 2321718
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851900
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851914
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851917
4-[4-[Bis(4-fluorophenyl)methylidene]piperidin-1-yl]-1-pyrrolidin-1-ylbutan-1-one
CID 9804326
A59U94Jde5
CID 157010706
Piperazine, 1-(2-fluorobenzoyl)-4-diphenylacetyl-
CID 579768
1-Benzhydryl-4-(cyclopropylcarbonyl)piperazine
CID 902950

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide (CID 2903539) is N-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide is O=C(C1CCN(Cc2ccc(F)cc2)CC1)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is MFELZSOBTNRDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN2O/c29-27-13-11-25(12-14-27)21-30-18-16-26(17-19-30)28(32)31(22-24-9-5-2-6-10-24)20-15-23-7-3-1-4-8-23/h1-14,26H,15-22H2.
What are the key properties of N-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
N-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 430.57 g/mol, XLogP of 5.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 2903539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).