N-(4-fluorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide

C25H31FN2O2 — CID 127035455

IUPACN-(4-fluorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide
SMILESCC(C)Cc1ccc(C(C)C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C25H31FN2O2/c1-17(2)16-19-4-6-20(7-5-19)18(3)25(30)28-14-12-21(13-15-28)24(29)27-23-10-8-22(26)9-11-23/h4-11,17-18,21H,12-16H2,1-3H3,(H,27,29)
InChIKeyDSLUWAYUWZQNQR-UHFFFAOYSA-N
MW410.53 g/mol
LogP5.01
Rot. Bonds6

About N-(4-fluorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide

N-(4-fluorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide (PubChem CID 127035455) has the molecular formula C25H31FN2O2 and a molecular weight of 410.53 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide
PubChem CID127035455
Molecular FormulaC25H31FN2O2
Molecular Weight410.53 g/mol
Exact Mass410.24
IUPAC NameN-(4-fluorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide
SMILESCC(C)Cc1ccc(C(C)C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C25H31FN2O2/c1-17(2)16-19-4-6-20(7-5-19)18(3)25(30)28-14-12-21(13-15-28)24(29)27-23-10-8-22(26)9-11-23/h4-11,17-18,21H,12-16H2,1-3H3,(H,27,29)
InChIKeyDSLUWAYUWZQNQR-UHFFFAOYSA-N
XLogP5.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.53
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylphenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide
CID 127035153
1-acetyl-N-[4-(2-methylpropyl)phenyl]piperidine-4-carboxamide
CID 110792561
N-[4-[[2-[4-(2-methylpropyl)phenyl]propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 54782194
3-[4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]phenyl]propanoic acid
CID 119252463
N-(4-acetamidophenyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113007926
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31669191
1-(2-aminopropanoyl)-N-[1-(4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide
CID 4964862
1-[(2R)-2-(4-fluorophenoxy)propanoyl]-N-phenylpiperidine-4-carboxamide
CID 41499825
N-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 56966632
(2S,6R)-4-[[4-[1-[4-(4-fluoroanilino)piperidin-1-yl]-1-oxopropan-2-yl]phenyl]methyl]-2,6-dimethylpiperazine-1-carboxylic acid
CID 68947385
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide (CID 127035455) is N-(4-fluorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide is CC(C)Cc1ccc(C(C)C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide?
The InChIKey is DSLUWAYUWZQNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O2/c1-17(2)16-19-4-6-20(7-5-19)18(3)25(30)28-14-12-21(13-15-28)24(29)27-23-10-8-22(26)9-11-23/h4-11,17-18,21H,12-16H2,1-3H3,(H,27,29).
What are the key properties of N-(4-fluorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide?
N-(4-fluorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide has a molecular weight of 410.53 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 127035455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).