N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-1-(2-methoxyacetyl)piperidine-4-carboxamide

C18H24ClFN2O3 — CID 50985201

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-1-(2-methoxyacetyl)piperidine-4-carboxamide
SMILESCCN(Cc1c(F)cccc1Cl)C(=O)C1CCN(C(=O)COC)CC1
InChIInChI=1S/C18H24ClFN2O3/c1-3-21(11-14-15(19)5-4-6-16(14)20)18(24)13-7-9-22(10-8-13)17(23)12-25-2/h4-6,13H,3,7-12H2,1-2H3
InChIKeyALYKDLZZWWBMKQ-UHFFFAOYSA-N
MW370.85 g/mol
LogP2.71
Rot. Bonds6

About N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-1-(2-methoxyacetyl)piperidine-4-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-1-(2-methoxyacetyl)piperidine-4-carboxamide (PubChem CID 50985201) has the molecular formula C18H24ClFN2O3 and a molecular weight of 370.85 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-1-(2-methoxyacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-1-(2-methoxyacetyl)piperidine-4-carboxamide
PubChem CID50985201
Molecular FormulaC18H24ClFN2O3
Molecular Weight370.85 g/mol
Exact Mass370.15
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-1-(2-methoxyacetyl)piperidine-4-carboxamide
SMILESCCN(Cc1c(F)cccc1Cl)C(=O)C1CCN(C(=O)COC)CC1
InChIInChI=1S/C18H24ClFN2O3/c1-3-21(11-14-15(19)5-4-6-16(14)20)18(24)13-7-9-22(10-8-13)17(23)12-25-2/h4-6,13H,3,7-12H2,1-2H3
InChIKeyALYKDLZZWWBMKQ-UHFFFAOYSA-N
XLogP2.71
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.85
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-Chloro-benzyl)-piperazin-1-yl]-3-methyl-butan-1-one
CID 773315
N~4~-(2-chloro-4-fluorobenzyl)-N~1~,N~1~-dimethylpiperidine-1,4-dicarboxamide
CID 3242928
9-[(3-Chloro-4-fluorophenyl)methyl]-4-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
CID 134805572
1-(2-Chloro-6-fluorobenzyl)piperidine-4-carboxamide
CID 757768
N-[(3-chlorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 51072609
1-(4-chlorobenzyl)-N-ethyl-N-(2-methylprop-2-en-1-yl)piperidine-4-carboxamide
CID 762873
US10927128, Example 72
CID 135374669
US10927128, Example 73
CID 135374757
[1-[(2-Chloro-6-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 2903806
2-chloro-6-fluoro-N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)benzamide
CID 16895536
1-[4-[1-[(4-Chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-ethoxyethanone
CID 45226715
1-[4-(2-Chloro-4-fluorobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 45828524

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-1-(2-methoxyacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-1-(2-methoxyacetyl)piperidine-4-carboxamide (CID 50985201) is N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-1-(2-methoxyacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-1-(2-methoxyacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-1-(2-methoxyacetyl)piperidine-4-carboxamide is CCN(Cc1c(F)cccc1Cl)C(=O)C1CCN(C(=O)COC)CC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-1-(2-methoxyacetyl)piperidine-4-carboxamide?
The InChIKey is ALYKDLZZWWBMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClFN2O3/c1-3-21(11-14-15(19)5-4-6-16(14)20)18(24)13-7-9-22(10-8-13)17(23)12-25-2/h4-6,13H,3,7-12H2,1-2H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-1-(2-methoxyacetyl)piperidine-4-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-1-(2-methoxyacetyl)piperidine-4-carboxamide has a molecular weight of 370.85 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-1-(2-methoxyacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 50985201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).