N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide

C20H25ClN2O3 — CID 72871524

IUPACN-[2-[(4-chlorophenyl)methoxy]ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCCOCc1ccc(Cl)cc1)C1CCN(Cc2ccco2)CC1
InChIInChI=1S/C20H25ClN2O3/c21-18-5-3-16(4-6-18)15-25-13-9-22-20(24)17-7-10-23(11-8-17)14-19-2-1-12-26-19/h1-6,12,17H,7-11,13-15H2,(H,22,24)
InChIKeySWHXKUBXLIXPIW-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.48
Rot. Bonds8

About N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide

N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 72871524) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methoxy]ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID72871524
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC NameN-[2-[(4-chlorophenyl)methoxy]ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCCOCc1ccc(Cl)cc1)C1CCN(Cc2ccco2)CC1
InChIInChI=1S/C20H25ClN2O3/c21-18-5-3-16(4-6-18)15-25-13-9-22-20(24)17-7-10-23(11-8-17)14-19-2-1-12-26-19/h1-6,12,17H,7-11,13-15H2,(H,22,24)
InChIKeySWHXKUBXLIXPIW-UHFFFAOYSA-N
XLogP3.48
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 25249201
1-[(3,4-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 53284623
1-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147775
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45006705
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 91775679
trans-(1S,3S)-N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-hydroxycyclohexane-1-carboxamide
CID 91774896
N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106373
1-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]-5-oxopyrrolidine-3-carboxamide
CID 87016388
N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 4780242
1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 53117839
N-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 72887195
2-(2-chlorophenyl)-2-[[1-(furan-2-ylmethyl)piperidine-4-carbonyl]amino]acetic acid
CID 72862619

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide (CID 72871524) is N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide is O=C(NCCOCc1ccc(Cl)cc1)C1CCN(Cc2ccco2)CC1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is SWHXKUBXLIXPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c21-18-5-3-16(4-6-18)15-25-13-9-22-20(24)17-7-10-23(11-8-17)14-19-2-1-12-26-19/h1-6,12,17H,7-11,13-15H2,(H,22,24).
What are the key properties of N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide?
N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 376.88 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 72871524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).