1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide

C9H13N5O2 — CID 110475443

IUPAC1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cn[nH]n2)CC1
InChIInChI=1S/C9H13N5O2/c10-8(15)6-1-3-14(4-2-6)9(16)7-5-11-13-12-7/h5-6H,1-4H2,(H2,10,15)(H,11,12,13)
InChIKeyDEKIEWYEFLRAAV-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.86
Rot. Bonds2

About 1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide

1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide (PubChem CID 110475443) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
PubChem CID110475443
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cn[nH]n2)CC1
InChIInChI=1S/C9H13N5O2/c10-8(15)6-1-3-14(4-2-6)9(16)7-5-11-13-12-7/h5-6H,1-4H2,(H2,10,15)(H,11,12,13)
InChIKeyDEKIEWYEFLRAAV-UHFFFAOYSA-N
XLogP-0.86
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

azocan-1-yl(2H-triazol-4-yl)methanone
CID 47335062
N-ethyl-1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
CID 112733334
(4-bromopiperidin-1-yl)-(2H-triazol-4-yl)methanone
CID 80662677
(4-piperidin-1-ylpiperidin-1-yl)-(2H-triazol-4-yl)methanone
CID 78968357
[(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 115301640
[3-(aminomethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 63282840
1-(2H-triazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568004
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 103975879
(3-propan-2-ylpyrrolidin-1-yl)-(2H-triazol-4-yl)methanone
CID 115686992
(3-methoxypyrrolidin-1-yl)-(2H-triazol-4-yl)methanone
CID 103536935
(4,4-dimethylazepan-1-yl)-(2H-triazol-4-yl)methanone
CID 79005614
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 118782933

Frequently Asked Questions

What is the IUPAC name of 1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide (CID 110475443) is 1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2cn[nH]n2)CC1.
What is the InChIKey of 1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is DEKIEWYEFLRAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c10-8(15)6-1-3-14(4-2-6)9(16)7-5-11-13-12-7/h5-6H,1-4H2,(H2,10,15)(H,11,12,13).
What are the key properties of 1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide?
1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 223.24 g/mol, XLogP of -0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 110475443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).