4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-chlorophenyl)carbamate

C29H33ClN2O3 — CID 10117403

IUPAC4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)OCCCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H33ClN2O3/c30-25-13-15-26(16-14-25)31-29(33)34-22-8-7-19-32-20-17-27(18-21-32)35-28(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-6,9-16,27-28H,7-8,17-22H2,(H,31,33)
InChIKeyGAGXMDYTZIENSW-UHFFFAOYSA-N
MW493.05 g/mol
LogP6.94
Rot. Bonds10

About 4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-chlorophenyl)carbamate

4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-chlorophenyl)carbamate (PubChem CID 10117403) has the molecular formula C29H33ClN2O3 and a molecular weight of 493.05 g/mol. Its IUPAC name is 4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-chlorophenyl)carbamate
PubChem CID10117403
Molecular FormulaC29H33ClN2O3
Molecular Weight493.05 g/mol
Exact Mass492.22
IUPAC Name4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)OCCCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H33ClN2O3/c30-25-13-15-26(16-14-25)31-29(33)34-22-8-7-19-32-20-17-27(18-21-32)35-28(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-6,9-16,27-28H,7-8,17-22H2,(H,31,33)
InChIKeyGAGXMDYTZIENSW-UHFFFAOYSA-N
XLogP6.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.05
LogP ≤ 56.94
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

4-[4-(benzyloxy)piperidino]butyl-N-(4-fluorophenyl)carbamate
CID 10179120
4-[4-(benzyloxy)piperidino]butyl-N-(4-chlorophenyl)carbamate
CID 10223679
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-[4-(trifluoromethyl)phenyl]carbamate
CID 11526048
3-(4-Chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 25183173
[3-[4-(3-Chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 67281064
[3-[4-(4-Chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 67281893
(4-chlorophenyl)methyl N-[4-[(3S)-piperidin-3-yl]phenyl]carbamate
CID 67239516
4-Phenyl-6-chloro-1,4-dihydro-2H-3,1-benzoxazin-2-one
CID 197912
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenylphenyl)carbamate
CID 11627432
3-{3-[Bis-(4-chloro-phenyl)-methoxy]-8-aza-bicyclo[3.2.1]oct-8-yl}-N-phenyl-propionamide
CID 44342087
4-[4-(benzhydryloxy)piperidino]butyl-N-(4-fluorophenyl)carbamate
CID 10205836
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-tert-butylphenyl)carbamate
CID 11591072

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-chlorophenyl)carbamate?
The IUPAC name of 4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-chlorophenyl)carbamate (CID 10117403) is 4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-chlorophenyl)carbamate.
What is the SMILES notation for 4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-chlorophenyl)carbamate?
The canonical SMILES for 4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-chlorophenyl)carbamate is O=C(Nc1ccc(Cl)cc1)OCCCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-chlorophenyl)carbamate?
The InChIKey is GAGXMDYTZIENSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClN2O3/c30-25-13-15-26(16-14-25)31-29(33)34-22-8-7-19-32-20-17-27(18-21-32)35-28(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-6,9-16,27-28H,7-8,17-22H2,(H,31,33).
What are the key properties of 4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-chlorophenyl)carbamate?
4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-chlorophenyl)carbamate has a molecular weight of 493.05 g/mol, XLogP of 6.94, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 10117403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).