[1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate

C29H32N2O4 — CID 71134014

IUPAC[1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate
SMILESCOc1ccc(C(=O)N2CCC(OC(=O)NCCCc3ccccc3)(c3ccccc3)CC2)cc1
InChIInChI=1S/C29H32N2O4/c1-34-26-16-14-24(15-17-26)27(32)31-21-18-29(19-22-31,25-12-6-3-7-13-25)35-28(33)30-20-8-11-23-9-4-2-5-10-23/h2-7,9-10,12-17H,8,11,18-22H2,1H3,(H,30,33)
InChIKeyVIBCIBFSXXJBIE-UHFFFAOYSA-N
MW472.59 g/mol
LogP5.19
Rot. Bonds8

About [1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate

[1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate (PubChem CID 71134014) has the molecular formula C29H32N2O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is [1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate.

Molecular Properties

Compound Name[1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate
PubChem CID71134014
Molecular FormulaC29H32N2O4
Molecular Weight472.59 g/mol
Exact Mass472.24
IUPAC Name[1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate
SMILESCOc1ccc(C(=O)N2CCC(OC(=O)NCCCc3ccccc3)(c3ccccc3)CC2)cc1
InChIInChI=1S/C29H32N2O4/c1-34-26-16-14-24(15-17-26)27(32)31-21-18-29(19-22-31,25-12-6-3-7-13-25)35-28(33)30-20-8-11-23-9-4-2-5-10-23/h2-7,9-10,12-17H,8,11,18-22H2,1H3,(H,30,33)
InChIKeyVIBCIBFSXXJBIE-UHFFFAOYSA-N
XLogP5.19
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate
CID 71133933
[1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidin-4-yl] N-[2-(4-methoxyphenyl)ethyl]carbamate
CID 71133930
(4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 828823
1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 22240655
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
1-[8-(4-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-phenylpropan-1-one
CID 4272586
N-benzyl-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide
CID 23935697
4-(morpholine-4-carbonyl)-N-(3-phenylpropyl)benzamide
CID 109045457
6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide
CID 110169894
3-benzyl-8-(4-methoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 16812524
4-[2-(3-methoxyphenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109361
N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate?
The IUPAC name of [1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate (CID 71134014) is [1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate.
What is the SMILES notation for [1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate?
The canonical SMILES for [1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate is COc1ccc(C(=O)N2CCC(OC(=O)NCCCc3ccccc3)(c3ccccc3)CC2)cc1.
What is the InChIKey of [1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate?
The InChIKey is VIBCIBFSXXJBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O4/c1-34-26-16-14-24(15-17-26)27(32)31-21-18-29(19-22-31,25-12-6-3-7-13-25)35-28(33)30-20-8-11-23-9-4-2-5-10-23/h2-7,9-10,12-17H,8,11,18-22H2,1H3,(H,30,33).
What are the key properties of [1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate?
[1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate has a molecular weight of 472.59 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate is sourced from PubChem (CID 71134014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).