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

C18H19ClN2O3 — CID 6463437

IUPACN-[(4-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H19ClN2O3/c19-15-5-3-13(4-6-15)12-20-17(22)14-7-9-21(10-8-14)18(23)16-2-1-11-24-16/h1-6,11,14H,7-10,12H2,(H,20,22)
InChIKeyPJZZKXYYVIKGNN-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.10
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide (PubChem CID 6463437) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
PubChem CID6463437
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H19ClN2O3/c19-15-5-3-13(4-6-15)12-20-17(22)14-7-9-21(10-8-14)18(23)16-2-1-11-24-16/h1-6,11,14H,7-10,12H2,(H,20,22)
InChIKeyPJZZKXYYVIKGNN-UHFFFAOYSA-N
XLogP3.10
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide (CID 6463437) is N-[(4-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide is O=C(NCc1ccc(Cl)cc1)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is PJZZKXYYVIKGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c19-15-5-3-13(4-6-15)12-20-17(22)14-7-9-21(10-8-14)18(23)16-2-1-11-24-16/h1-6,11,14H,7-10,12H2,(H,20,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 346.81 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 6463437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).