N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]cyclopropanecarboxamide

C13H21N5O — CID 155975407

IUPACN-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]cyclopropanecarboxamide
SMILESCn1ncnc1CN1CCCC(NC(=O)C2CC2)C1
InChIInChI=1S/C13H21N5O/c1-17-12(14-9-15-17)8-18-6-2-3-11(7-18)16-13(19)10-4-5-10/h9-11H,2-8H2,1H3,(H,16,19)
InChIKeyQUJGKQVMJMPDNM-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.31
Rot. Bonds4

About N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]cyclopropanecarboxamide

N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 155975407) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]cyclopropanecarboxamide
PubChem CID155975407
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]cyclopropanecarboxamide
SMILESCn1ncnc1CN1CCCC(NC(=O)C2CC2)C1
InChIInChI=1S/C13H21N5O/c1-17-12(14-9-15-17)8-18-6-2-3-11(7-18)16-13(19)10-4-5-10/h9-11H,2-8H2,1H3,(H,16,19)
InChIKeyQUJGKQVMJMPDNM-UHFFFAOYSA-N
XLogP0.31
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]cyclopropanecarboxamide (CID 155975407) is N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]cyclopropanecarboxamide is Cn1ncnc1CN1CCCC(NC(=O)C2CC2)C1.
What is the InChIKey of N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is QUJGKQVMJMPDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-17-12(14-9-15-17)8-18-6-2-3-11(7-18)16-13(19)10-4-5-10/h9-11H,2-8H2,1H3,(H,16,19).
What are the key properties of N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]cyclopropanecarboxamide?
N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 155975407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).