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

C18H20Cl2N2O2 — CID 53284623

IUPAC1-[(3,4-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H20Cl2N2O2/c19-16-4-3-13(10-17(16)20)12-22-7-5-14(6-8-22)18(23)21-11-15-2-1-9-24-15/h1-4,9-10,14H,5-8,11-12H2,(H,21,23)
InChIKeySPVOUHACBDWYGW-UHFFFAOYSA-N
MW367.28 g/mol
LogP4.11
Rot. Bonds5

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

1-[(3,4-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 53284623) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID53284623
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H20Cl2N2O2/c19-16-4-3-13(10-17(16)20)12-22-7-5-14(6-8-22)18(23)21-11-15-2-1-9-24-15/h1-4,9-10,14H,5-8,11-12H2,(H,21,23)
InChIKeySPVOUHACBDWYGW-UHFFFAOYSA-N
XLogP4.11
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 25249201
N-[(2-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284707
N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920957
1-[(3,4-dichlorophenyl)methyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917712
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 56582169
1-[(3,4-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917722
N-[3-(2-chlorophenyl)propyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 46773335
1-benzyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 43921227
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43917450
1-(furan-2-ylmethyl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 72847764
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 3236063
1-[(3,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-4-carboxamide
CID 133250707

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide (CID 53284623) is 1-[(3,4-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1ccco1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is SPVOUHACBDWYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2/c19-16-4-3-13(10-17(16)20)12-22-7-5-14(6-8-22)18(23)21-11-15-2-1-9-24-15/h1-4,9-10,14H,5-8,11-12H2,(H,21,23).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
1-[(3,4-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 367.28 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 53284623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).