N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-dimethyl-2-oxoimidazole-4-carboxamide

C17H28N4O2 — CID 126834531

IUPACN-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-dimethyl-2-oxoimidazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCN(CC3CCCC3)CC2)n(C)c1=O
InChIInChI=1S/C17H28N4O2/c1-19-12-15(20(2)17(19)23)16(22)18-14-7-9-21(10-8-14)11-13-5-3-4-6-13/h12-14H,3-11H2,1-2H3,(H,18,22)
InChIKeyHQUOIEIJTMZVCY-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.11
Rot. Bonds4

About N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-dimethyl-2-oxoimidazole-4-carboxamide

N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-dimethyl-2-oxoimidazole-4-carboxamide (PubChem CID 126834531) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-dimethyl-2-oxoimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-dimethyl-2-oxoimidazole-4-carboxamide
PubChem CID126834531
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-dimethyl-2-oxoimidazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCN(CC3CCCC3)CC2)n(C)c1=O
InChIInChI=1S/C17H28N4O2/c1-19-12-15(20(2)17(19)23)16(22)18-14-7-9-21(10-8-14)11-13-5-3-4-6-13/h12-14H,3-11H2,1-2H3,(H,18,22)
InChIKeyHQUOIEIJTMZVCY-UHFFFAOYSA-N
XLogP1.11
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-dimethyl-2-oxoimidazole-4-carboxamide?
The IUPAC name of N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-dimethyl-2-oxoimidazole-4-carboxamide (CID 126834531) is N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-dimethyl-2-oxoimidazole-4-carboxamide.
What is the SMILES notation for N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-dimethyl-2-oxoimidazole-4-carboxamide?
The canonical SMILES for N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-dimethyl-2-oxoimidazole-4-carboxamide is Cn1cc(C(=O)NC2CCN(CC3CCCC3)CC2)n(C)c1=O.
What is the InChIKey of N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-dimethyl-2-oxoimidazole-4-carboxamide?
The InChIKey is HQUOIEIJTMZVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-19-12-15(20(2)17(19)23)16(22)18-14-7-9-21(10-8-14)11-13-5-3-4-6-13/h12-14H,3-11H2,1-2H3,(H,18,22).
What are the key properties of N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-dimethyl-2-oxoimidazole-4-carboxamide?
N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-dimethyl-2-oxoimidazole-4-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-dimethyl-2-oxoimidazole-4-carboxamide is sourced from PubChem (CID 126834531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).