(4-piperidin-1-ylpiperidin-1-yl)-(2H-triazol-4-yl)methanone

C13H21N5O — CID 78968357

IUPAC(4-piperidin-1-ylpiperidin-1-yl)-(2H-triazol-4-yl)methanone
SMILESO=C(c1cn[nH]n1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C13H21N5O/c19-13(12-10-14-16-15-12)18-8-4-11(5-9-18)17-6-2-1-3-7-17/h10-11H,1-9H2,(H,14,15,16)
InChIKeyXUZFLHGHWMEZIT-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.90
Rot. Bonds2

About (4-piperidin-1-ylpiperidin-1-yl)-(2H-triazol-4-yl)methanone

(4-piperidin-1-ylpiperidin-1-yl)-(2H-triazol-4-yl)methanone (PubChem CID 78968357) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is (4-piperidin-1-ylpiperidin-1-yl)-(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name(4-piperidin-1-ylpiperidin-1-yl)-(2H-triazol-4-yl)methanone
PubChem CID78968357
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name(4-piperidin-1-ylpiperidin-1-yl)-(2H-triazol-4-yl)methanone
SMILESO=C(c1cn[nH]n1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C13H21N5O/c19-13(12-10-14-16-15-12)18-8-4-11(5-9-18)17-6-2-1-3-7-17/h10-11H,1-9H2,(H,14,15,16)
InChIKeyXUZFLHGHWMEZIT-UHFFFAOYSA-N
XLogP0.90
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azocan-1-yl(2H-triazol-4-yl)methanone
CID 47335062
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 118782933
1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
CID 110475443
(4-bromopiperidin-1-yl)-(2H-triazol-4-yl)methanone
CID 80662677
N-ethyl-1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
CID 112733334
[(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 115301640
(4,4-dimethylazepan-1-yl)-(2H-triazol-4-yl)methanone
CID 79005614
(5-methyl-1H-pyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 62065172
(4-methyl-1,4-diazepan-1-yl)-(2H-triazol-4-yl)methanone
CID 112732680
1,4-thiazepan-4-yl(2H-triazol-4-yl)methanone
CID 78968241
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
1-(2H-triazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568004

Frequently Asked Questions

What is the IUPAC name of (4-piperidin-1-ylpiperidin-1-yl)-(2H-triazol-4-yl)methanone?
The IUPAC name of (4-piperidin-1-ylpiperidin-1-yl)-(2H-triazol-4-yl)methanone (CID 78968357) is (4-piperidin-1-ylpiperidin-1-yl)-(2H-triazol-4-yl)methanone.
What is the SMILES notation for (4-piperidin-1-ylpiperidin-1-yl)-(2H-triazol-4-yl)methanone?
The canonical SMILES for (4-piperidin-1-ylpiperidin-1-yl)-(2H-triazol-4-yl)methanone is O=C(c1cn[nH]n1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of (4-piperidin-1-ylpiperidin-1-yl)-(2H-triazol-4-yl)methanone?
The InChIKey is XUZFLHGHWMEZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c19-13(12-10-14-16-15-12)18-8-4-11(5-9-18)17-6-2-1-3-7-17/h10-11H,1-9H2,(H,14,15,16).
What are the key properties of (4-piperidin-1-ylpiperidin-1-yl)-(2H-triazol-4-yl)methanone?
(4-piperidin-1-ylpiperidin-1-yl)-(2H-triazol-4-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-1-ylpiperidin-1-yl)-(2H-triazol-4-yl)methanone is sourced from PubChem (CID 78968357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).