5-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

C16H19ClN4O2 — CID 20540668

IUPAC5-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESNC(=O)c1[nH]c(=O)[nH]c1CN1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H19ClN4O2/c17-12-3-1-10(2-4-12)11-5-7-21(8-6-11)9-13-14(15(18)22)20-16(23)19-13/h1-4,11H,5-9H2,(H2,18,22)(H2,19,20,23)
InChIKeyYYQUUXQXPWCHSG-UHFFFAOYSA-N
MW334.81 g/mol
LogP1.83
Rot. Bonds4

About 5-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

5-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 20540668) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 5-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound Name5-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID20540668
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name5-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESNC(=O)c1[nH]c(=O)[nH]c1CN1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H19ClN4O2/c17-12-3-1-10(2-4-12)11-5-7-21(8-6-11)9-13-14(15(18)22)20-16(23)19-13/h1-4,11H,5-9H2,(H2,18,22)(H2,19,20,23)
InChIKeyYYQUUXQXPWCHSG-UHFFFAOYSA-N
XLogP1.83
TPSA94.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of 5-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 20540668) is 5-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for 5-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for 5-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is NC(=O)c1[nH]c(=O)[nH]c1CN1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 5-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is YYQUUXQXPWCHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c17-12-3-1-10(2-4-12)11-5-7-21(8-6-11)9-13-14(15(18)22)20-16(23)19-13/h1-4,11H,5-9H2,(H2,18,22)(H2,19,20,23).
What are the key properties of 5-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
5-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 334.81 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 20540668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).