1-(pyrrolidine-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-4-carboxamide

C16H21N7O2 — CID 126828988

IUPAC1-(pyrrolidine-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nnc2cnccn12)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H21N7O2/c24-14(18-15-20-19-13-11-17-5-10-23(13)15)12-3-8-22(9-4-12)16(25)21-6-1-2-7-21/h5,10-12H,1-4,6-9H2,(H,18,20,24)
InChIKeyGSLNHYYVWLJVOK-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.99
Rot. Bonds2

About 1-(pyrrolidine-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-4-carboxamide

1-(pyrrolidine-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-4-carboxamide (PubChem CID 126828988) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-(pyrrolidine-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(pyrrolidine-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-4-carboxamide
PubChem CID126828988
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name1-(pyrrolidine-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nnc2cnccn12)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H21N7O2/c24-14(18-15-20-19-13-11-17-5-10-23(13)15)12-3-8-22(9-4-12)16(25)21-6-1-2-7-21/h5,10-12H,1-4,6-9H2,(H,18,20,24)
InChIKeyGSLNHYYVWLJVOK-UHFFFAOYSA-N
XLogP0.99
TPSA95.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(pyrrolidine-1-carbonyl)-N-(thiadiazol-4-yl)piperidine-4-carboxamide
CID 126804623
N-pyrazolo[1,5-a]pyridin-3-yl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 126841557
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)urea
CID 167773678
2,2,2-trifluoro-1-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 166610070
1-(pyrrolidine-1-carbonyl)-N-quinolin-3-ylpiperidine-4-carboxamide
CID 55718448
1-(2-nitrophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 38961699
N-(2,5-dibromophenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55760620
N-(4-cyano-6-methyl-2-pyridinyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 167786103
N-(4-bromo-3-hydroxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 91651859
(4-hydroxypiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 112725643
N-[4-(ethylsulfonylamino)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55960086
(2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
CID 119372610

Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidine-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(pyrrolidine-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-4-carboxamide (CID 126828988) is 1-(pyrrolidine-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(pyrrolidine-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(pyrrolidine-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-4-carboxamide is O=C(Nc1nnc2cnccn12)C1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of 1-(pyrrolidine-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-4-carboxamide?
The InChIKey is GSLNHYYVWLJVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O2/c24-14(18-15-20-19-13-11-17-5-10-23(13)15)12-3-8-22(9-4-12)16(25)21-6-1-2-7-21/h5,10-12H,1-4,6-9H2,(H,18,20,24).
What are the key properties of 1-(pyrrolidine-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-4-carboxamide?
1-(pyrrolidine-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-4-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidine-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 126828988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).