N,N-diethyl-1-(2H-triazole-4-carbonyl)piperidine-3-carboxamide

C13H21N5O2 — CID 74232620

IUPACN,N-diethyl-1-(2H-triazole-4-carbonyl)piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)c2cn[nH]n2)C1
InChIInChI=1S/C13H21N5O2/c1-3-17(4-2)12(19)10-6-5-7-18(9-10)13(20)11-8-14-16-15-11/h8,10H,3-7,9H2,1-2H3,(H,14,15,16)
InChIKeyYPUNSGPHOWNNSR-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.53
Rot. Bonds4

About N,N-diethyl-1-(2H-triazole-4-carbonyl)piperidine-3-carboxamide

N,N-diethyl-1-(2H-triazole-4-carbonyl)piperidine-3-carboxamide (PubChem CID 74232620) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N,N-diethyl-1-(2H-triazole-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-(2H-triazole-4-carbonyl)piperidine-3-carboxamide
PubChem CID74232620
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN,N-diethyl-1-(2H-triazole-4-carbonyl)piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)c2cn[nH]n2)C1
InChIInChI=1S/C13H21N5O2/c1-3-17(4-2)12(19)10-6-5-7-18(9-10)13(20)11-8-14-16-15-11/h8,10H,3-7,9H2,1-2H3,(H,14,15,16)
InChIKeyYPUNSGPHOWNNSR-UHFFFAOYSA-N
XLogP0.53
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azocan-1-yl(2H-triazol-4-yl)methanone
CID 47335062
(3-propan-2-ylpyrrolidin-1-yl)-(2H-triazol-4-yl)methanone
CID 115686992
(3S)-N,N-dimethyl-1-(1-methylpyrazole-3-carbonyl)piperidine-3-carboxamide
CID 95828671
(3R)-1-[1-[(4-chlorophenyl)methyl]triazole-4-carbonyl]-N,N-diethylpiperidine-3-carboxamide
CID 42288735
N,N-diethyl-1-[4-(1-methylpyrazol-4-yl)benzoyl]piperidine-3-carboxamide
CID 119067015
(3S)-1-N-[4-[[(3S)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 40620948
2-methyl-2-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]propanoic acid
CID 83198185
(4-piperidin-1-ylpiperidin-1-yl)-(2H-triazol-4-yl)methanone
CID 78968357
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 103975879
[(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 115301640
N-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methanesulfonamide
CID 113226212
1-N-[3-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3574463

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(2H-triazole-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-(2H-triazole-4-carbonyl)piperidine-3-carboxamide (CID 74232620) is N,N-diethyl-1-(2H-triazole-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-(2H-triazole-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-(2H-triazole-4-carbonyl)piperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(C(=O)c2cn[nH]n2)C1.
What is the InChIKey of N,N-diethyl-1-(2H-triazole-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is YPUNSGPHOWNNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-3-17(4-2)12(19)10-6-5-7-18(9-10)13(20)11-8-14-16-15-11/h8,10H,3-7,9H2,1-2H3,(H,14,15,16).
What are the key properties of N,N-diethyl-1-(2H-triazole-4-carbonyl)piperidine-3-carboxamide?
N,N-diethyl-1-(2H-triazole-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(2H-triazole-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 74232620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).