N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide

C14H22N4O2 — CID 91832655

IUPACN-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide
SMILESO=C(NC1CCN(CC2CCCO2)CC1)c1cnc[nH]1
InChIInChI=1S/C14H22N4O2/c19-14(13-8-15-10-16-13)17-11-3-5-18(6-4-11)9-12-2-1-7-20-12/h8,10-12H,1-7,9H2,(H,15,16)(H,17,19)
InChIKeyZREBNBBZYXOAMV-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.78
Rot. Bonds4

About N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide

N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide (PubChem CID 91832655) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide
PubChem CID91832655
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide
SMILESO=C(NC1CCN(CC2CCCO2)CC1)c1cnc[nH]1
InChIInChI=1S/C14H22N4O2/c19-14(13-8-15-10-16-13)17-11-3-5-18(6-4-11)9-12-2-1-7-20-12/h8,10-12H,1-7,9H2,(H,15,16)(H,17,19)
InChIKeyZREBNBBZYXOAMV-UHFFFAOYSA-N
XLogP0.78
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide (CID 91832655) is N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide is O=C(NC1CCN(CC2CCCO2)CC1)c1cnc[nH]1.
What is the InChIKey of N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide?
The InChIKey is ZREBNBBZYXOAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c19-14(13-8-15-10-16-13)17-11-3-5-18(6-4-11)9-12-2-1-7-20-12/h8,10-12H,1-7,9H2,(H,15,16)(H,17,19).
What are the key properties of N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide?
N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 91832655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).