1-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide

C18H21ClN2O2 — CID 25249201

IUPAC1-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H21ClN2O2/c19-16-4-1-3-14(11-16)13-21-8-6-15(7-9-21)18(22)20-12-17-5-2-10-23-17/h1-5,10-11,15H,6-9,12-13H2,(H,20,22)
InChIKeySCDHETWLKYSACP-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.46
Rot. Bonds5

About 1-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide

1-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 25249201) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID25249201
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name1-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H21ClN2O2/c19-16-4-1-3-14(11-16)13-21-8-6-15(7-9-21)18(22)20-12-17-5-2-10-23-17/h1-5,10-11,15H,6-9,12-13H2,(H,20,22)
InChIKeySCDHETWLKYSACP-UHFFFAOYSA-N
XLogP3.46
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 53284623
1-[(3-chlorophenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917663
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 43917657
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 3236063
1-benzyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 43921227
1-[(3-chlorophenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917655
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43917396
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
1-[(3-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-4-carboxamide
CID 45012297
1-[(2-chlorophenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917643
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53284862
1-[(4-methylphenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917625

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide (CID 25249201) is 1-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1ccco1)C1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is SCDHETWLKYSACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c19-16-4-1-3-14(11-16)13-21-8-6-15(7-9-21)18(22)20-12-17-5-2-10-23-17/h1-5,10-11,15H,6-9,12-13H2,(H,20,22).
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
1-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 332.83 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 25249201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).