N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide

C20H32N6O — CID 127917847

IUPACN-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(c2nnc3n2CCCC3)CC1)C1=CCN(C)CC1
InChIInChI=1S/C20H32N6O/c1-15(16-6-11-24(2)12-7-16)21-20(27)25-13-8-17(9-14-25)19-23-22-18-5-3-4-10-26(18)19/h6,15,17H,3-5,7-14H2,1-2H3,(H,21,27)
InChIKeyISMAEMUHZJHYOI-UHFFFAOYSA-N
MW372.52 g/mol
LogP2.15
Rot. Bonds3

About N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide

N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide (PubChem CID 127917847) has the molecular formula C20H32N6O and a molecular weight of 372.52 g/mol. Its IUPAC name is N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
PubChem CID127917847
Molecular FormulaC20H32N6O
Molecular Weight372.52 g/mol
Exact Mass372.26
IUPAC NameN-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(c2nnc3n2CCCC3)CC1)C1=CCN(C)CC1
InChIInChI=1S/C20H32N6O/c1-15(16-6-11-24(2)12-7-16)21-20(27)25-13-8-17(9-14-25)19-23-22-18-5-3-4-10-26(18)19/h6,15,17H,3-5,7-14H2,1-2H3,(H,21,27)
InChIKeyISMAEMUHZJHYOI-UHFFFAOYSA-N
XLogP2.15
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

2-phenyl-1-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]propan-1-one
CID 110235638
1,3-dimethyl-6-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione
CID 72889793
N-(2-phenylethyl)-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carboxamide
CID 119060560
4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide
CID 75479801
2-(4-ethoxyphenyl)-1-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]ethanone
CID 92593633
(1-methylpyrazolo[4,5-b]pyridin-6-yl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 157013026
1-[(3S,6R)-3-amino-6-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carbonyl]azepan-1-yl]ethanone
CID 165420589
[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 92594074
2-methyl-1-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]propan-1-one
CID 42947532
(4-methoxyphenyl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 92595107
[5-(2-methylpropyl)-1H-pyrazol-3-yl]-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 50970821
2-cyclopropyl-5-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 70786368

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide (CID 127917847) is N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide is CC(NC(=O)N1CCC(c2nnc3n2CCCC3)CC1)C1=CCN(C)CC1.
What is the InChIKey of N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide?
The InChIKey is ISMAEMUHZJHYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O/c1-15(16-6-11-24(2)12-7-16)21-20(27)25-13-8-17(9-14-25)19-23-22-18-5-3-4-10-26(18)19/h6,15,17H,3-5,7-14H2,1-2H3,(H,21,27).
What are the key properties of N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide?
N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide has a molecular weight of 372.52 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 127917847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).