4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpiperidine-4-carboxamide

C17H29N5O4 — CID 91767212

IUPAC4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpiperidine-4-carboxamide
SMILESCOCCn1c(CO)nnc1C1CC(NC(=O)C2(O)CCN(C)CC2)C1
InChIInChI=1S/C17H29N5O4/c1-21-5-3-17(25,4-6-21)16(24)18-13-9-12(10-13)15-20-19-14(11-23)22(15)7-8-26-2/h12-13,23,25H,3-11H2,1-2H3,(H,18,24)
InChIKeyRUEZMPFCBVRXEH-UHFFFAOYSA-N
MW367.45 g/mol
LogP-0.76
Rot. Bonds7

About 4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpiperidine-4-carboxamide

4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpiperidine-4-carboxamide (PubChem CID 91767212) has the molecular formula C17H29N5O4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpiperidine-4-carboxamide
PubChem CID91767212
Molecular FormulaC17H29N5O4
Molecular Weight367.45 g/mol
Exact Mass367.22
IUPAC Name4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpiperidine-4-carboxamide
SMILESCOCCn1c(CO)nnc1C1CC(NC(=O)C2(O)CCN(C)CC2)C1
InChIInChI=1S/C17H29N5O4/c1-21-5-3-17(25,4-6-21)16(24)18-13-9-12(10-13)15-20-19-14(11-23)22(15)7-8-26-2/h12-13,23,25H,3-11H2,1-2H3,(H,18,24)
InChIKeyRUEZMPFCBVRXEH-UHFFFAOYSA-N
XLogP-0.76
TPSA112.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of 4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpiperidine-4-carboxamide (CID 91767212) is 4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for 4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpiperidine-4-carboxamide is COCCn1c(CO)nnc1C1CC(NC(=O)C2(O)CCN(C)CC2)C1.
What is the InChIKey of 4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is RUEZMPFCBVRXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O4/c1-21-5-3-17(25,4-6-21)16(24)18-13-9-12(10-13)15-20-19-14(11-23)22(15)7-8-26-2/h12-13,23,25H,3-11H2,1-2H3,(H,18,24).
What are the key properties of 4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpiperidine-4-carboxamide?
4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of -0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 91767212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).