(1-ethylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate

C16H23ClN2O2 — CID 30377

IUPAC(1-ethylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate
SMILESCCN1CCCC(COC(=O)Nc2c(C)cccc2Cl)C1
InChIInChI=1S/C16H23ClN2O2/c1-3-19-9-5-7-13(10-19)11-21-16(20)18-15-12(2)6-4-8-14(15)17/h4,6,8,13H,3,5,7,9-11H2,1-2H3,(H,18,20)
InChIKeyKQSYJRHHYDJLBW-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.93
Rot. Bonds4

About (1-ethylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate

(1-ethylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate (PubChem CID 30377) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is (1-ethylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate.

Molecular Properties

Compound Name(1-ethylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate
PubChem CID30377
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name(1-ethylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate
SMILESCCN1CCCC(COC(=O)Nc2c(C)cccc2Cl)C1
InChIInChI=1S/C16H23ClN2O2/c1-3-19-9-5-7-13(10-19)11-21-16(20)18-15-12(2)6-4-8-14(15)17/h4,6,8,13H,3,5,7,9-11H2,1-2H3,(H,18,20)
InChIKeyKQSYJRHHYDJLBW-UHFFFAOYSA-N
XLogP3.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Phenyl-carbamic acid (3R,4S)-4-(4-chloro-phenyl)-1-methyl-piperidin-3-ylmethyl ester
CID 11462502
2-(Piperidin-1-yl)cyclohexyl hydrogen (2-chloro-6-methylphenyl)carbonimidate--hydrogen chloride (1/1)
CID 28267
2-(Pyrrolidin-1-yl)cyclohexyl hydrogen (2-chloro-6-methylphenyl)carbonimidate--hydrogen chloride (1/1)
CID 28273
Carbamic acid, (2-chloro-6-methylphenyl)-, (1-methyl-2-pyrrolidinyl)methyl ester
CID 28800
Carbanilic acid, 2-chloro-6-methyl-, (1-ethyl-3-pyrrolidinyl)methyl ester
CID 30371
Carbanilic acid, 2,6-dimethyl-, (1-methyl-3-piperidyl)methyl ester
CID 30374
(1-Ethylpiperidin-3-yl)methyl hydrogen (2,6-dimethylphenyl)carbonimidate
CID 30375
(1-Methylpiperidin-3-yl)methyl hydrogen (2-chloro-6-methylphenyl)carbonimidate
CID 30376
Carbanilic acid, 2-chloro-6-methyl-, (1-methyl-3-pyrrolidinyl)methyl ester
CID 30518
Carbanilic acid, 6-chloro-2-methyl-, N-methyl-3-piperidinyl ester
CID 35897
Carbanilic acid, 6-chloro-2-methyl-, N-propyl-3-piperidinyl ester
CID 35901
HS 37
CID 35909

Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate?
The IUPAC name of (1-ethylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate (CID 30377) is (1-ethylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate.
What is the SMILES notation for (1-ethylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate?
The canonical SMILES for (1-ethylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate is CCN1CCCC(COC(=O)Nc2c(C)cccc2Cl)C1.
What is the InChIKey of (1-ethylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate?
The InChIKey is KQSYJRHHYDJLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-3-19-9-5-7-13(10-19)11-21-16(20)18-15-12(2)6-4-8-14(15)17/h4,6,8,13H,3,5,7,9-11H2,1-2H3,(H,18,20).
What are the key properties of (1-ethylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate?
(1-ethylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate has a molecular weight of 310.82 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate is sourced from PubChem (CID 30377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).