N-[2-(3-chlorophenoxy)ethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide

C20H23ClN2O4 — CID 43044196

IUPACN-[2-(3-chlorophenoxy)ethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)C1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C20H23ClN2O4/c1-22(10-12-26-17-7-2-6-16(21)13-17)19(24)15-5-3-9-23(14-15)20(25)18-8-4-11-27-18/h2,4,6-8,11,13,15H,3,5,9-10,12,14H2,1H3
InChIKeyFZTWZFZZIQPYFS-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.32
Rot. Bonds6

About N-[2-(3-chlorophenoxy)ethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide

N-[2-(3-chlorophenoxy)ethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide (PubChem CID 43044196) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide
PubChem CID43044196
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)C1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C20H23ClN2O4/c1-22(10-12-26-17-7-2-6-16(21)13-17)19(24)15-5-3-9-23(14-15)20(25)18-8-4-11-27-18/h2,4,6-8,11,13,15H,3,5,9-10,12,14H2,1H3
InChIKeyFZTWZFZZIQPYFS-UHFFFAOYSA-N
XLogP3.32
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 60938135
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1-(furan-2-carbonyl)piperidin-3-yl]methanone
CID 43043371
N-[(2-chloro-5-nitrophenyl)methyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide
CID 42938378
1-(furan-2-carbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 47019411
1-(furan-2-carbonyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 43043397
(3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide
CID 31985390
N'-(2,5-dichlorobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 46520147
N-[2-[2-(3-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 18119826
N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide
CID 107067634
(1R,3R,4S)-N-[2-(3-chlorophenoxy)ethyl]-4-hydroxy-3-methoxy-N-methylcyclohexane-1-carboxamide
CID 135097680
[1-(furan-2-carbonyl)piperidin-3-yl]-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 43043373
(3S)-3-N-[2-(4-fluorophenoxy)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide
CID 31793508

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide (CID 43044196) is N-[2-(3-chlorophenoxy)ethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide is CN(CCOc1cccc(Cl)c1)C(=O)C1CCCN(C(=O)c2ccco2)C1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is FZTWZFZZIQPYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-22(10-12-26-17-7-2-6-16(21)13-17)19(24)15-5-3-9-23(14-15)20(25)18-8-4-11-27-18/h2,4,6-8,11,13,15H,3,5,9-10,12,14H2,1H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide?
N-[2-(3-chlorophenoxy)ethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 43044196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).