[1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

C25H25ClN2O2 — CID 10645832

IUPAC[1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESO=C(Nc1ccccc1-c1ccccc1)OC1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C25H25ClN2O2/c26-23-12-6-4-10-20(23)18-28-16-14-21(15-17-28)30-25(29)27-24-13-7-5-11-22(24)19-8-2-1-3-9-19/h1-13,21H,14-18H2,(H,27,29)
InChIKeyAVQRVZVKGZNTIQ-UHFFFAOYSA-N
MW420.94 g/mol
LogP6.22
Rot. Bonds5

About [1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

[1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 10645832) has the molecular formula C25H25ClN2O2 and a molecular weight of 420.94 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
PubChem CID10645832
Molecular FormulaC25H25ClN2O2
Molecular Weight420.94 g/mol
Exact Mass420.16
IUPAC Name[1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESO=C(Nc1ccccc1-c1ccccc1)OC1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C25H25ClN2O2/c26-23-12-6-4-10-20(23)18-28-16-14-21(15-17-28)30-25(29)27-24-13-7-5-11-22(24)19-8-2-1-3-9-19/h1-13,21H,14-18H2,(H,27,29)
InChIKeyAVQRVZVKGZNTIQ-UHFFFAOYSA-N
XLogP6.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.94
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624951
[1-(2-oxoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 89290632
[1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-methylcarbamate
CID 91291495
ethyl-dimethyl-[[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]methyl]azanium
CID 20625302
[1-(3-aminopropyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 53325336
(1-phosphanylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
CID 143572443
(1-methylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
CID 53318454
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-[8-(1,3-dioxoisoindol-2-yl)octyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 59838143
[1-[9-[(3,5-dichloro-4-hydroxyphenyl)methylamino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 44610609
4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[[2-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]methyl]azanium
CID 20625157

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The IUPAC name of [1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 10645832) is [1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is O=C(Nc1ccccc1-c1ccccc1)OC1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The InChIKey is AVQRVZVKGZNTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O2/c26-23-12-6-4-10-20(23)18-28-16-14-21(15-17-28)30-25(29)27-24-13-7-5-11-22(24)19-8-2-1-3-9-19/h1-13,21H,14-18H2,(H,27,29).
What are the key properties of [1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
[1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 420.94 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 10645832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).