5-ethyl-N-[1-[2-(1-ethyltriazol-4-yl)acetyl]-3-hydroxypiperidin-4-yl]-1H-imidazole-4-carboxamide

C17H25N7O3 — CID 166343862

IUPAC5-ethyl-N-[1-[2-(1-ethyltriazol-4-yl)acetyl]-3-hydroxypiperidin-4-yl]-1H-imidazole-4-carboxamide
SMILESCCc1[nH]cnc1C(=O)NC1CCN(C(=O)Cc2cn(CC)nn2)CC1O
InChIInChI=1S/C17H25N7O3/c1-3-12-16(19-10-18-12)17(27)20-13-5-6-23(9-14(13)25)15(26)7-11-8-24(4-2)22-21-11/h8,10,13-14,25H,3-7,9H2,1-2H3,(H,18,19)(H,20,27)
InChIKeyKRMFKORHWNLPEZ-UHFFFAOYSA-N
MW375.43 g/mol
LogP-0.48
Rot. Bonds6

About 5-ethyl-N-[1-[2-(1-ethyltriazol-4-yl)acetyl]-3-hydroxypiperidin-4-yl]-1H-imidazole-4-carboxamide

5-ethyl-N-[1-[2-(1-ethyltriazol-4-yl)acetyl]-3-hydroxypiperidin-4-yl]-1H-imidazole-4-carboxamide (PubChem CID 166343862) has the molecular formula C17H25N7O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 5-ethyl-N-[1-[2-(1-ethyltriazol-4-yl)acetyl]-3-hydroxypiperidin-4-yl]-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[1-[2-(1-ethyltriazol-4-yl)acetyl]-3-hydroxypiperidin-4-yl]-1H-imidazole-4-carboxamide
PubChem CID166343862
Molecular FormulaC17H25N7O3
Molecular Weight375.43 g/mol
Exact Mass375.20
IUPAC Name5-ethyl-N-[1-[2-(1-ethyltriazol-4-yl)acetyl]-3-hydroxypiperidin-4-yl]-1H-imidazole-4-carboxamide
SMILESCCc1[nH]cnc1C(=O)NC1CCN(C(=O)Cc2cn(CC)nn2)CC1O
InChIInChI=1S/C17H25N7O3/c1-3-12-16(19-10-18-12)17(27)20-13-5-6-23(9-14(13)25)15(26)7-11-8-24(4-2)22-21-11/h8,10,13-14,25H,3-7,9H2,1-2H3,(H,18,19)(H,20,27)
InChIKeyKRMFKORHWNLPEZ-UHFFFAOYSA-N
XLogP-0.48
TPSA129.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[1-[2-(1-ethyltriazol-4-yl)acetyl]-3-hydroxypiperidin-4-yl]-1H-imidazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-[1-[2-(1-ethyltriazol-4-yl)acetyl]-3-hydroxypiperidin-4-yl]-1H-imidazole-4-carboxamide (CID 166343862) is 5-ethyl-N-[1-[2-(1-ethyltriazol-4-yl)acetyl]-3-hydroxypiperidin-4-yl]-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-[1-[2-(1-ethyltriazol-4-yl)acetyl]-3-hydroxypiperidin-4-yl]-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-[1-[2-(1-ethyltriazol-4-yl)acetyl]-3-hydroxypiperidin-4-yl]-1H-imidazole-4-carboxamide is CCc1[nH]cnc1C(=O)NC1CCN(C(=O)Cc2cn(CC)nn2)CC1O.
What is the InChIKey of 5-ethyl-N-[1-[2-(1-ethyltriazol-4-yl)acetyl]-3-hydroxypiperidin-4-yl]-1H-imidazole-4-carboxamide?
The InChIKey is KRMFKORHWNLPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O3/c1-3-12-16(19-10-18-12)17(27)20-13-5-6-23(9-14(13)25)15(26)7-11-8-24(4-2)22-21-11/h8,10,13-14,25H,3-7,9H2,1-2H3,(H,18,19)(H,20,27).
What are the key properties of 5-ethyl-N-[1-[2-(1-ethyltriazol-4-yl)acetyl]-3-hydroxypiperidin-4-yl]-1H-imidazole-4-carboxamide?
5-ethyl-N-[1-[2-(1-ethyltriazol-4-yl)acetyl]-3-hydroxypiperidin-4-yl]-1H-imidazole-4-carboxamide has a molecular weight of 375.43 g/mol, XLogP of -0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[1-[2-(1-ethyltriazol-4-yl)acetyl]-3-hydroxypiperidin-4-yl]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 166343862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).