N-[2-[1-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]ethyl]acetamide

C14H25N5O — CID 91840405

IUPACN-[2-[1-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCCCN1Cc1nc(C)nn1C
InChIInChI=1S/C14H25N5O/c1-11-16-14(18(3)17-11)10-19-9-5-4-6-13(19)7-8-15-12(2)20/h13H,4-10H2,1-3H3,(H,15,20)
InChIKeyRBQAXWNMPBFAOT-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.00
Rot. Bonds5

About N-[2-[1-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]ethyl]acetamide

N-[2-[1-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]ethyl]acetamide (PubChem CID 91840405) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[2-[1-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]ethyl]acetamide
PubChem CID91840405
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-[2-[1-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCCCN1Cc1nc(C)nn1C
InChIInChI=1S/C14H25N5O/c1-11-16-14(18(3)17-11)10-19-9-5-4-6-13(19)7-8-15-12(2)20/h13H,4-10H2,1-3H3,(H,15,20)
InChIKeyRBQAXWNMPBFAOT-UHFFFAOYSA-N
XLogP1.00
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]ethyl]acetamide (CID 91840405) is N-[2-[1-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]ethyl]acetamide is CC(=O)NCCC1CCCCN1Cc1nc(C)nn1C.
What is the InChIKey of N-[2-[1-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]ethyl]acetamide?
The InChIKey is RBQAXWNMPBFAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-11-16-14(18(3)17-11)10-19-9-5-4-6-13(19)7-8-15-12(2)20/h13H,4-10H2,1-3H3,(H,15,20).
What are the key properties of N-[2-[1-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]ethyl]acetamide?
N-[2-[1-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]ethyl]acetamide has a molecular weight of 279.39 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 91840405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).