N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide

C25H27ClN2O2 — CID 164851916

IUPACN-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C25H27ClN2O2/c26-22-10-8-21(9-11-22)19-28(25(29)24-7-4-18-30-24)23-13-16-27(17-14-23)15-12-20-5-2-1-3-6-20/h1-11,18,23H,12-17,19H2
InChIKeyJXHAOESPARTMAL-UHFFFAOYSA-N
MW422.96 g/mol
LogP5.28
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide

N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 164851916) has the molecular formula C25H27ClN2O2 and a molecular weight of 422.96 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID164851916
Molecular FormulaC25H27ClN2O2
Molecular Weight422.96 g/mol
Exact Mass422.18
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C25H27ClN2O2/c26-22-10-8-21(9-11-22)19-28(25(29)24-7-4-18-30-24)23-13-16-27(17-14-23)15-12-20-5-2-1-3-6-20/h1-11,18,23H,12-17,19H2
InChIKeyJXHAOESPARTMAL-UHFFFAOYSA-N
XLogP5.28
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.96
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide (CID 164851916) is N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide is O=C(c1ccco1)N(Cc1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is JXHAOESPARTMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O2/c26-22-10-8-21(9-11-22)19-28(25(29)24-7-4-18-30-24)23-13-16-27(17-14-23)15-12-20-5-2-1-3-6-20/h1-11,18,23H,12-17,19H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 422.96 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 164851916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).