[1-[2-[benzhydryl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

C34H37N3O2 — CID 20624858

IUPAC[1-[2-[benzhydryl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESCN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H37N3O2/c1-36(33(28-15-7-3-8-16-28)29-17-9-4-10-18-29)25-26-37-23-21-30(22-24-37)39-34(38)35-32-20-12-11-19-31(32)27-13-5-2-6-14-27/h2-20,30,33H,21-26H2,1H3,(H,35,38)
InChIKeyUIFIGZBFHKZLMQ-UHFFFAOYSA-N
MW519.69 g/mol
LogP7.09
Rot. Bonds9

About [1-[2-[benzhydryl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

[1-[2-[benzhydryl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 20624858) has the molecular formula C34H37N3O2 and a molecular weight of 519.69 g/mol. Its IUPAC name is [1-[2-[benzhydryl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name[1-[2-[benzhydryl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
PubChem CID20624858
Molecular FormulaC34H37N3O2
Molecular Weight519.69 g/mol
Exact Mass519.29
IUPAC Name[1-[2-[benzhydryl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESCN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H37N3O2/c1-36(33(28-15-7-3-8-16-28)29-17-9-4-10-18-29)25-26-37-23-21-30(22-24-37)39-34(38)35-32-20-12-11-19-31(32)27-13-5-2-6-14-27/h2-20,30,33H,21-26H2,1H3,(H,35,38)
InChIKeyUIFIGZBFHKZLMQ-UHFFFAOYSA-N
XLogP7.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.69
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-[methyl(1-naphthalen-1-ylethyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624866
[1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624951
[1-[7-[ethyl(methyl)amino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624927
benzyl N-methyl-N-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]carbamate
CID 58058123
methyl 3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propanoate
CID 57459436
(1-butylpiperidin-4-yl) N-(2-phenylphenyl)carbamate;ethane;nonane
CID 158840532
(1-methylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
CID 53318454
[1-(3-aminopropyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 53325336
[1-[2-[6-aminohexanoyl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;dihydrochloride
CID 66671725
[1-[8-(1,3-dioxoisoindol-2-yl)octyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 59838143
[1-(2-oxoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 89290632
[1-[9-[(5-fluoro-2-hydroxybenzoyl)-methylamino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 44610665

Frequently Asked Questions

What is the IUPAC name of [1-[2-[benzhydryl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The IUPAC name of [1-[2-[benzhydryl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 20624858) is [1-[2-[benzhydryl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.
What is the SMILES notation for [1-[2-[benzhydryl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The canonical SMILES for [1-[2-[benzhydryl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of [1-[2-[benzhydryl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The InChIKey is UIFIGZBFHKZLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N3O2/c1-36(33(28-15-7-3-8-16-28)29-17-9-4-10-18-29)25-26-37-23-21-30(22-24-37)39-34(38)35-32-20-12-11-19-31(32)27-13-5-2-6-14-27/h2-20,30,33H,21-26H2,1H3,(H,35,38).
What are the key properties of [1-[2-[benzhydryl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
[1-[2-[benzhydryl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 519.69 g/mol, XLogP of 7.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[benzhydryl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 20624858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).