[2-(methylamino)-2-oxoethyl] N-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-N-ethylcarbamate

C18H25ClFN3O3 — CID 174519456

IUPAC[2-(methylamino)-2-oxoethyl] N-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-N-ethylcarbamate
SMILESCCN(C(=O)OCC(=O)NC)C1CCN(Cc2cccc(Cl)c2F)CC1
InChIInChI=1S/C18H25ClFN3O3/c1-3-23(18(25)26-12-16(24)21-2)14-7-9-22(10-8-14)11-13-5-4-6-15(19)17(13)20/h4-6,14H,3,7-12H2,1-2H3,(H,21,24)
InChIKeyDLZWUOWDOJCSGD-UHFFFAOYSA-N
MW385.87 g/mol
LogP2.65
Rot. Bonds6

About [2-(methylamino)-2-oxoethyl] N-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-N-ethylcarbamate

[2-(methylamino)-2-oxoethyl] N-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-N-ethylcarbamate (PubChem CID 174519456) has the molecular formula C18H25ClFN3O3 and a molecular weight of 385.87 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] N-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-N-ethylcarbamate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] N-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-N-ethylcarbamate
PubChem CID174519456
Molecular FormulaC18H25ClFN3O3
Molecular Weight385.87 g/mol
Exact Mass385.16
IUPAC Name[2-(methylamino)-2-oxoethyl] N-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-N-ethylcarbamate
SMILESCCN(C(=O)OCC(=O)NC)C1CCN(Cc2cccc(Cl)c2F)CC1
InChIInChI=1S/C18H25ClFN3O3/c1-3-23(18(25)26-12-16(24)21-2)14-7-9-22(10-8-14)11-13-5-4-6-15(19)17(13)20/h4-6,14H,3,7-12H2,1-2H3,(H,21,24)
InChIKeyDLZWUOWDOJCSGD-UHFFFAOYSA-N
XLogP2.65
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] N-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-N-ethylcarbamate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] N-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-N-ethylcarbamate (CID 174519456) is [2-(methylamino)-2-oxoethyl] N-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-N-ethylcarbamate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] N-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-N-ethylcarbamate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] N-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-N-ethylcarbamate is CCN(C(=O)OCC(=O)NC)C1CCN(Cc2cccc(Cl)c2F)CC1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] N-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-N-ethylcarbamate?
The InChIKey is DLZWUOWDOJCSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClFN3O3/c1-3-23(18(25)26-12-16(24)21-2)14-7-9-22(10-8-14)11-13-5-4-6-15(19)17(13)20/h4-6,14H,3,7-12H2,1-2H3,(H,21,24).
What are the key properties of [2-(methylamino)-2-oxoethyl] N-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-N-ethylcarbamate?
[2-(methylamino)-2-oxoethyl] N-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-N-ethylcarbamate has a molecular weight of 385.87 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] N-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-N-ethylcarbamate is sourced from PubChem (CID 174519456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).