1-acetyl-N-(2,2-diphenylethyl)-4-phenylpiperidine-4-carboxamide

C28H30N2O2 — CID 55368593

IUPAC1-acetyl-N-(2,2-diphenylethyl)-4-phenylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCC(c2ccccc2)c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C28H30N2O2/c1-22(31)30-19-17-28(18-20-30,25-15-9-4-10-16-25)27(32)29-21-26(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-16,26H,17-21H2,1H3,(H,29,32)
InChIKeyJACZWMNJNQALAJ-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.51
Rot. Bonds6

About 1-acetyl-N-(2,2-diphenylethyl)-4-phenylpiperidine-4-carboxamide

1-acetyl-N-(2,2-diphenylethyl)-4-phenylpiperidine-4-carboxamide (PubChem CID 55368593) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 1-acetyl-N-(2,2-diphenylethyl)-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(2,2-diphenylethyl)-4-phenylpiperidine-4-carboxamide
PubChem CID55368593
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC Name1-acetyl-N-(2,2-diphenylethyl)-4-phenylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCC(c2ccccc2)c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C28H30N2O2/c1-22(31)30-19-17-28(18-20-30,25-15-9-4-10-16-25)27(32)29-21-26(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-16,26H,17-21H2,1H3,(H,29,32)
InChIKeyJACZWMNJNQALAJ-UHFFFAOYSA-N
XLogP4.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-butyl-4-phenylpiperidine-4-carboxamide
CID 39889707
1-acetyl-N-[(2R)-1-amino-1-oxopropan-2-yl]-4-phenylpiperidine-4-carboxamide
CID 97310746
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8526904
1-acetyl-4-phenyl-N-pyridin-2-ylpiperidine-4-carboxamide
CID 75460001
1-acetyl-N-[1-(4-chlorophenyl)ethyl]-4-phenylpiperidine-4-carboxamide
CID 55368369
1-acetyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-phenylpiperidine-4-carboxamide
CID 55385035
1-acetyl-N-[2-(4-bromoanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxamide
CID 55879768
1-acetyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidine-4-carboxamide
CID 55779960
[2-(2-methylpropylamino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8526930
N-(3-hydroxy-2-methylpropyl)-1-phenylcyclopropane-1-carboxamide
CID 65036967
1-acetyl-N-(3-cyclohexyloxypropyl)-4-phenylpiperidine-4-carboxamide
CID 39950504
2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 55105160

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2,2-diphenylethyl)-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(2,2-diphenylethyl)-4-phenylpiperidine-4-carboxamide (CID 55368593) is 1-acetyl-N-(2,2-diphenylethyl)-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(2,2-diphenylethyl)-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(2,2-diphenylethyl)-4-phenylpiperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCC(c2ccccc2)c2ccccc2)(c2ccccc2)CC1.
What is the InChIKey of 1-acetyl-N-(2,2-diphenylethyl)-4-phenylpiperidine-4-carboxamide?
The InChIKey is JACZWMNJNQALAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2/c1-22(31)30-19-17-28(18-20-30,25-15-9-4-10-16-25)27(32)29-21-26(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-16,26H,17-21H2,1H3,(H,29,32).
What are the key properties of 1-acetyl-N-(2,2-diphenylethyl)-4-phenylpiperidine-4-carboxamide?
1-acetyl-N-(2,2-diphenylethyl)-4-phenylpiperidine-4-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2,2-diphenylethyl)-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 55368593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).