N-(2-cyclohexylethyl)-4-[[N-[(4-fluorophenyl)methyl]-4-methylanilino]methyl]-4-methylpiperidine-1-carboxamide

C30H42FN3O — CID 143643776

IUPACN-(2-cyclohexylethyl)-4-[[N-[(4-fluorophenyl)methyl]-4-methylanilino]methyl]-4-methylpiperidine-1-carboxamide
SMILESCc1ccc(N(Cc2ccc(F)cc2)CC2(C)CCN(C(=O)NCCC3CCCCC3)CC2)cc1
InChIInChI=1S/C30H42FN3O/c1-24-8-14-28(15-9-24)34(22-26-10-12-27(31)13-11-26)23-30(2)17-20-33(21-18-30)29(35)32-19-16-25-6-4-3-5-7-25/h8-15,25H,3-7,16-23H2,1-2H3,(H,32,35)
InChIKeyHNENSKYRZYEVPX-UHFFFAOYSA-N
MW479.68 g/mol
LogP6.92
Rot. Bonds8

About N-(2-cyclohexylethyl)-4-[[N-[(4-fluorophenyl)methyl]-4-methylanilino]methyl]-4-methylpiperidine-1-carboxamide

N-(2-cyclohexylethyl)-4-[[N-[(4-fluorophenyl)methyl]-4-methylanilino]methyl]-4-methylpiperidine-1-carboxamide (PubChem CID 143643776) has the molecular formula C30H42FN3O and a molecular weight of 479.68 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-4-[[N-[(4-fluorophenyl)methyl]-4-methylanilino]methyl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-4-[[N-[(4-fluorophenyl)methyl]-4-methylanilino]methyl]-4-methylpiperidine-1-carboxamide
PubChem CID143643776
Molecular FormulaC30H42FN3O
Molecular Weight479.68 g/mol
Exact Mass479.33
IUPAC NameN-(2-cyclohexylethyl)-4-[[N-[(4-fluorophenyl)methyl]-4-methylanilino]methyl]-4-methylpiperidine-1-carboxamide
SMILESCc1ccc(N(Cc2ccc(F)cc2)CC2(C)CCN(C(=O)NCCC3CCCCC3)CC2)cc1
InChIInChI=1S/C30H42FN3O/c1-24-8-14-28(15-9-24)34(22-26-10-12-27(31)13-11-26)23-30(2)17-20-33(21-18-30)29(35)32-19-16-25-6-4-3-5-7-25/h8-15,25H,3-7,16-23H2,1-2H3,(H,32,35)
InChIKeyHNENSKYRZYEVPX-UHFFFAOYSA-N
XLogP6.92
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.68
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-(2-cyclohexylethyl)-4-[[N-[(4-fluorophenyl)methyl]-4-methylanilino]methyl]-4-methylpiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-hydroxypiperidine-1-carboxamide
CID 122145910
3-(2-cyclopentylethyl)-1-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]urea
CID 55912931
2-cyclopentyl-1-[(3R)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]ethanone
CID 125015288
3-[[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]amino]propanoic acid
CID 122019443
(3S)-1-N-[(4-fluorophenyl)methyl]-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95088022
N-(4-fluorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 53138066
4-[4-[[2-[cyclopentanecarbonyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]phenyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 42677240
N-(2-cyclopentylethyl)-4-(4-methylphenyl)butanamide
CID 55774639
(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076857
4-[2-(cyclobutanecarbonylamino)ethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 91913288
4-[4-(diethylamino)phenyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107679
N-(2-cyclohexylethyl)-3-methylpyrrolidine-3-carboxamide
CID 55164951

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-4-[[N-[(4-fluorophenyl)methyl]-4-methylanilino]methyl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(2-cyclohexylethyl)-4-[[N-[(4-fluorophenyl)methyl]-4-methylanilino]methyl]-4-methylpiperidine-1-carboxamide (CID 143643776) is N-(2-cyclohexylethyl)-4-[[N-[(4-fluorophenyl)methyl]-4-methylanilino]methyl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-4-[[N-[(4-fluorophenyl)methyl]-4-methylanilino]methyl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-cyclohexylethyl)-4-[[N-[(4-fluorophenyl)methyl]-4-methylanilino]methyl]-4-methylpiperidine-1-carboxamide is Cc1ccc(N(Cc2ccc(F)cc2)CC2(C)CCN(C(=O)NCCC3CCCCC3)CC2)cc1.
What is the InChIKey of N-(2-cyclohexylethyl)-4-[[N-[(4-fluorophenyl)methyl]-4-methylanilino]methyl]-4-methylpiperidine-1-carboxamide?
The InChIKey is HNENSKYRZYEVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42FN3O/c1-24-8-14-28(15-9-24)34(22-26-10-12-27(31)13-11-26)23-30(2)17-20-33(21-18-30)29(35)32-19-16-25-6-4-3-5-7-25/h8-15,25H,3-7,16-23H2,1-2H3,(H,32,35).
What are the key properties of N-(2-cyclohexylethyl)-4-[[N-[(4-fluorophenyl)methyl]-4-methylanilino]methyl]-4-methylpiperidine-1-carboxamide?
N-(2-cyclohexylethyl)-4-[[N-[(4-fluorophenyl)methyl]-4-methylanilino]methyl]-4-methylpiperidine-1-carboxamide has a molecular weight of 479.68 g/mol, XLogP of 6.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-4-[[N-[(4-fluorophenyl)methyl]-4-methylanilino]methyl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 143643776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).