[1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate

C28H30N2O5 — CID 71133933

IUPAC[1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate
SMILESCOc1ccc(CNC(=O)OC2(c3ccccc3)CCN(C(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C28H30N2O5/c1-33-24-12-8-21(9-13-24)20-29-27(32)35-28(23-6-4-3-5-7-23)16-18-30(19-17-28)26(31)22-10-14-25(34-2)15-11-22/h3-15H,16-20H2,1-2H3,(H,29,32)
InChIKeySPARFYCJMZCRMO-UHFFFAOYSA-N
MW474.56 g/mol
LogP4.76
Rot. Bonds7

About [1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate

[1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate (PubChem CID 71133933) has the molecular formula C28H30N2O5 and a molecular weight of 474.56 g/mol. Its IUPAC name is [1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Name[1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate
PubChem CID71133933
Molecular FormulaC28H30N2O5
Molecular Weight474.56 g/mol
Exact Mass474.22
IUPAC Name[1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate
SMILESCOc1ccc(CNC(=O)OC2(c3ccccc3)CCN(C(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C28H30N2O5/c1-33-24-12-8-21(9-13-24)20-29-27(32)35-28(23-6-4-3-5-7-23)16-18-30(19-17-28)26(31)22-10-14-25(34-2)15-11-22/h3-15H,16-20H2,1-2H3,(H,29,32)
InChIKeySPARFYCJMZCRMO-UHFFFAOYSA-N
XLogP4.76
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate 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

[1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate
CID 71134014
1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 22240655
N-[(4-methoxyphenyl)methyl]-4-methyl-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 52999111
[1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidin-4-yl] N-[2-(4-methoxyphenyl)ethyl]carbamate
CID 71133930
N-benzyl-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide
CID 23935697
N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-4-methylpiperidine-4-carboxamide
CID 52999128
1-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 52999112
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
(3R)-4-benzoyl-N-benzyl-8-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 97478123
[4-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]methylurea
CID 31730129
[4-[[4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethanone
CID 87056027
N-[(4-fluorophenyl)methyl]-2-[8-(4-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 3249616

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate?
The IUPAC name of [1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate (CID 71133933) is [1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for [1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate?
The canonical SMILES for [1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate is COc1ccc(CNC(=O)OC2(c3ccccc3)CCN(C(=O)c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of [1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate?
The InChIKey is SPARFYCJMZCRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O5/c1-33-24-12-8-21(9-13-24)20-29-27(32)35-28(23-6-4-3-5-7-23)16-18-30(19-17-28)26(31)22-10-14-25(34-2)15-11-22/h3-15H,16-20H2,1-2H3,(H,29,32).
What are the key properties of [1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate?
[1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate has a molecular weight of 474.56 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 71133933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).