N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2H-triazole-4-carboxamide

C12H17N5O2 — CID 112733260

IUPACN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2H-triazole-4-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CC2)CC1)c1cn[nH]n1
InChIInChI=1S/C12H17N5O2/c18-11(10-7-13-16-15-10)14-9-3-5-17(6-4-9)12(19)8-1-2-8/h7-9H,1-6H2,(H,14,18)(H,13,15,16)
InChIKeyLTKXPZFLORLRBN-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.06
Rot. Bonds3

About N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2H-triazole-4-carboxamide

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2H-triazole-4-carboxamide (PubChem CID 112733260) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2H-triazole-4-carboxamide
PubChem CID112733260
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2H-triazole-4-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CC2)CC1)c1cn[nH]n1
InChIInChI=1S/C12H17N5O2/c18-11(10-7-13-16-15-10)14-9-3-5-17(6-4-9)12(19)8-1-2-8/h7-9H,1-6H2,(H,14,18)(H,13,15,16)
InChIKeyLTKXPZFLORLRBN-UHFFFAOYSA-N
XLogP-0.06
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide
CID 125159540
4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 63283411
N-(1-tert-butylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 112733890
N-(1-cyclopropylpyrrolidin-3-yl)-2H-triazole-4-carboxamide
CID 47937761
N-(4-ethylcyclohexyl)-2H-triazole-4-carboxamide
CID 112733318
N-(1-pyridin-2-ylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 112731973
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47028354
2-N-[1-(cyclopentanecarbonyl)piperidin-4-yl]pyrazine-2,5-dicarboxamide
CID 137336941
N-(4-phenylcyclohexyl)-2H-triazole-4-carboxamide
CID 112733345
4-bromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 47150973
N-(2-methylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 106995382
N-(6-oxopiperidin-3-yl)-2H-triazole-4-carboxamide
CID 78918284

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2H-triazole-4-carboxamide (CID 112733260) is N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2H-triazole-4-carboxamide is O=C(NC1CCN(C(=O)C2CC2)CC1)c1cn[nH]n1.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2H-triazole-4-carboxamide?
The InChIKey is LTKXPZFLORLRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c18-11(10-7-13-16-15-10)14-9-3-5-17(6-4-9)12(19)8-1-2-8/h7-9H,1-6H2,(H,14,18)(H,13,15,16).
What are the key properties of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2H-triazole-4-carboxamide?
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2H-triazole-4-carboxamide has a molecular weight of 263.30 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 112733260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).