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

C19H33N5O3 — CID 91791621

IUPACN-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCOCCn1c(CO)nnc1C1CC(NC(=O)C2CCN(C(C)C)CC2)C1
InChIInChI=1S/C19H33N5O3/c1-13(2)23-6-4-14(5-7-23)19(26)20-16-10-15(11-16)18-22-21-17(12-25)24(18)8-9-27-3/h13-16,25H,4-12H2,1-3H3,(H,20,26)
InChIKeyJHLFJFPJPFZNLB-UHFFFAOYSA-N
MW379.51 g/mol
LogP0.90
Rot. Bonds8

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

N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 91791621) has the molecular formula C19H33N5O3 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID91791621
Molecular FormulaC19H33N5O3
Molecular Weight379.51 g/mol
Exact Mass379.26
IUPAC NameN-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCOCCn1c(CO)nnc1C1CC(NC(=O)C2CCN(C(C)C)CC2)C1
InChIInChI=1S/C19H33N5O3/c1-13(2)23-6-4-14(5-7-23)19(26)20-16-10-15(11-16)18-22-21-17(12-25)24(18)8-9-27-3/h13-16,25H,4-12H2,1-3H3,(H,20,26)
InChIKeyJHLFJFPJPFZNLB-UHFFFAOYSA-N
XLogP0.90
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-propan-2-ylpiperidine-4-carboxamide (CID 91791621) is N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-propan-2-ylpiperidine-4-carboxamide is COCCn1c(CO)nnc1C1CC(NC(=O)C2CCN(C(C)C)CC2)C1.
What is the InChIKey of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is JHLFJFPJPFZNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O3/c1-13(2)23-6-4-14(5-7-23)19(26)20-16-10-15(11-16)18-22-21-17(12-25)24(18)8-9-27-3/h13-16,25H,4-12H2,1-3H3,(H,20,26).
What are the key properties of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-propan-2-ylpiperidine-4-carboxamide?
N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 91791621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).