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

C23H29ClN2O3 — CID 10223679

IUPAC4-(4-phenylmethoxypiperidin-1-yl)butyl N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)OCCCCN1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C23H29ClN2O3/c24-20-8-10-21(11-9-20)25-23(27)28-17-5-4-14-26-15-12-22(13-16-26)29-18-19-6-2-1-3-7-19/h1-3,6-11,22H,4-5,12-18H2,(H,25,27)
InChIKeyBTLPMPJMTSKASK-UHFFFAOYSA-N
MW416.95 g/mol
LogP5.35
Rot. Bonds9

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

4-(4-phenylmethoxypiperidin-1-yl)butyl N-(4-chlorophenyl)carbamate (PubChem CID 10223679) has the molecular formula C23H29ClN2O3 and a molecular weight of 416.95 g/mol. Its IUPAC name is 4-(4-phenylmethoxypiperidin-1-yl)butyl N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name4-(4-phenylmethoxypiperidin-1-yl)butyl N-(4-chlorophenyl)carbamate
PubChem CID10223679
Molecular FormulaC23H29ClN2O3
Molecular Weight416.95 g/mol
Exact Mass416.19
IUPAC Name4-(4-phenylmethoxypiperidin-1-yl)butyl N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)OCCCCN1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C23H29ClN2O3/c24-20-8-10-21(11-9-20)25-23(27)28-17-5-4-14-26-15-12-22(13-16-26)29-18-19-6-2-1-3-7-19/h1-3,6-11,22H,4-5,12-18H2,(H,25,27)
InChIKeyBTLPMPJMTSKASK-UHFFFAOYSA-N
XLogP5.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.95
LogP ≤ 55.35
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylmethoxypiperidin-1-yl)butyl N-(4-chlorophenyl)carbamate?
The IUPAC name of 4-(4-phenylmethoxypiperidin-1-yl)butyl N-(4-chlorophenyl)carbamate (CID 10223679) is 4-(4-phenylmethoxypiperidin-1-yl)butyl N-(4-chlorophenyl)carbamate.
What is the SMILES notation for 4-(4-phenylmethoxypiperidin-1-yl)butyl N-(4-chlorophenyl)carbamate?
The canonical SMILES for 4-(4-phenylmethoxypiperidin-1-yl)butyl N-(4-chlorophenyl)carbamate is O=C(Nc1ccc(Cl)cc1)OCCCCN1CCC(OCc2ccccc2)CC1.
What is the InChIKey of 4-(4-phenylmethoxypiperidin-1-yl)butyl N-(4-chlorophenyl)carbamate?
The InChIKey is BTLPMPJMTSKASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O3/c24-20-8-10-21(11-9-20)25-23(27)28-17-5-4-14-26-15-12-22(13-16-26)29-18-19-6-2-1-3-7-19/h1-3,6-11,22H,4-5,12-18H2,(H,25,27).
What are the key properties of 4-(4-phenylmethoxypiperidin-1-yl)butyl N-(4-chlorophenyl)carbamate?
4-(4-phenylmethoxypiperidin-1-yl)butyl N-(4-chlorophenyl)carbamate has a molecular weight of 416.95 g/mol, XLogP of 5.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylmethoxypiperidin-1-yl)butyl N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 10223679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).