N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide

C11H19N5O2 — CID 47253178

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCC(O)CC1
InChIInChI=1S/C11H19N5O2/c1-2-15-8-13-14-10(15)7-12-11(18)16-5-3-9(17)4-6-16/h8-9,17H,2-7H2,1H3,(H,12,18)
InChIKeyRNBYJIBEQBTOFH-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.04
Rot. Bonds3

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide (PubChem CID 47253178) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide
PubChem CID47253178
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCC(O)CC1
InChIInChI=1S/C11H19N5O2/c1-2-15-8-13-14-10(15)7-12-11(18)16-5-3-9(17)4-6-16/h8-9,17H,2-7H2,1H3,(H,12,18)
InChIKeyRNBYJIBEQBTOFH-UHFFFAOYSA-N
XLogP-0.04
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide (CID 47253178) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide is CCn1cnnc1CNC(=O)N1CCC(O)CC1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide?
The InChIKey is RNBYJIBEQBTOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-2-15-8-13-14-10(15)7-12-11(18)16-5-3-9(17)4-6-16/h8-9,17H,2-7H2,1H3,(H,12,18).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide has a molecular weight of 253.31 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 47253178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).