2-piperidin-1-ylethyl N-(5-chloro-2-methoxyphenyl)carbamate

C15H21ClN2O3 — CID 10519226

IUPAC2-piperidin-1-ylethyl N-(5-chloro-2-methoxyphenyl)carbamate
SMILESCOc1ccc(Cl)cc1NC(=O)OCCN1CCCCC1
InChIInChI=1S/C15H21ClN2O3/c1-20-14-6-5-12(16)11-13(14)17-15(19)21-10-9-18-7-3-2-4-8-18/h5-6,11H,2-4,7-10H2,1H3,(H,17,19)
InChIKeyNOYIAHASAPBRTA-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.38
Rot. Bonds5

About 2-piperidin-1-ylethyl N-(5-chloro-2-methoxyphenyl)carbamate

2-piperidin-1-ylethyl N-(5-chloro-2-methoxyphenyl)carbamate (PubChem CID 10519226) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl N-(5-chloro-2-methoxyphenyl)carbamate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl N-(5-chloro-2-methoxyphenyl)carbamate
PubChem CID10519226
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name2-piperidin-1-ylethyl N-(5-chloro-2-methoxyphenyl)carbamate
SMILESCOc1ccc(Cl)cc1NC(=O)OCCN1CCCCC1
InChIInChI=1S/C15H21ClN2O3/c1-20-14-6-5-12(16)11-13(14)17-15(19)21-10-9-18-7-3-2-4-8-18/h5-6,11H,2-4,7-10H2,1H3,(H,17,19)
InChIKeyNOYIAHASAPBRTA-UHFFFAOYSA-N
XLogP3.38
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl N-(5-chloro-2-methoxyphenyl)carbamate?
The IUPAC name of 2-piperidin-1-ylethyl N-(5-chloro-2-methoxyphenyl)carbamate (CID 10519226) is 2-piperidin-1-ylethyl N-(5-chloro-2-methoxyphenyl)carbamate.
What is the SMILES notation for 2-piperidin-1-ylethyl N-(5-chloro-2-methoxyphenyl)carbamate?
The canonical SMILES for 2-piperidin-1-ylethyl N-(5-chloro-2-methoxyphenyl)carbamate is COc1ccc(Cl)cc1NC(=O)OCCN1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylethyl N-(5-chloro-2-methoxyphenyl)carbamate?
The InChIKey is NOYIAHASAPBRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-20-14-6-5-12(16)11-13(14)17-15(19)21-10-9-18-7-3-2-4-8-18/h5-6,11H,2-4,7-10H2,1H3,(H,17,19).
What are the key properties of 2-piperidin-1-ylethyl N-(5-chloro-2-methoxyphenyl)carbamate?
2-piperidin-1-ylethyl N-(5-chloro-2-methoxyphenyl)carbamate has a molecular weight of 312.80 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl N-(5-chloro-2-methoxyphenyl)carbamate is sourced from PubChem (CID 10519226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).