N-[1-(oxan-4-yl)piperidin-4-yl]-1H-imidazole-5-carboxamide

C14H22N4O2 — CID 91840667

IUPACN-[1-(oxan-4-yl)piperidin-4-yl]-1H-imidazole-5-carboxamide
SMILESO=C(NC1CCN(C2CCOCC2)CC1)c1cnc[nH]1
InChIInChI=1S/C14H22N4O2/c19-14(13-9-15-10-16-13)17-11-1-5-18(6-2-11)12-3-7-20-8-4-12/h9-12H,1-8H2,(H,15,16)(H,17,19)
InChIKeyOEFHPDDQIYNQTR-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.78
Rot. Bonds3

About N-[1-(oxan-4-yl)piperidin-4-yl]-1H-imidazole-5-carboxamide

N-[1-(oxan-4-yl)piperidin-4-yl]-1H-imidazole-5-carboxamide (PubChem CID 91840667) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)piperidin-4-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)piperidin-4-yl]-1H-imidazole-5-carboxamide
PubChem CID91840667
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[1-(oxan-4-yl)piperidin-4-yl]-1H-imidazole-5-carboxamide
SMILESO=C(NC1CCN(C2CCOCC2)CC1)c1cnc[nH]1
InChIInChI=1S/C14H22N4O2/c19-14(13-9-15-10-16-13)17-11-1-5-18(6-2-11)12-3-7-20-8-4-12/h9-12H,1-8H2,(H,15,16)(H,17,19)
InChIKeyOEFHPDDQIYNQTR-UHFFFAOYSA-N
XLogP0.78
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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-(oxan-4-yl)piperidin-4-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[1-(oxan-4-yl)piperidin-4-yl]-1H-imidazole-5-carboxamide (CID 91840667) is N-[1-(oxan-4-yl)piperidin-4-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[1-(oxan-4-yl)piperidin-4-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[1-(oxan-4-yl)piperidin-4-yl]-1H-imidazole-5-carboxamide is O=C(NC1CCN(C2CCOCC2)CC1)c1cnc[nH]1.
What is the InChIKey of N-[1-(oxan-4-yl)piperidin-4-yl]-1H-imidazole-5-carboxamide?
The InChIKey is OEFHPDDQIYNQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c19-14(13-9-15-10-16-13)17-11-1-5-18(6-2-11)12-3-7-20-8-4-12/h9-12H,1-8H2,(H,15,16)(H,17,19).
What are the key properties of N-[1-(oxan-4-yl)piperidin-4-yl]-1H-imidazole-5-carboxamide?
N-[1-(oxan-4-yl)piperidin-4-yl]-1H-imidazole-5-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)piperidin-4-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 91840667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).