1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one

C15H25N5O — CID 107077762

IUPAC1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one
SMILESCC(NCc1nnc2n1CCCC2)C(=O)N1CCCCC1
InChIInChI=1S/C15H25N5O/c1-12(15(21)19-8-4-2-5-9-19)16-11-14-18-17-13-7-3-6-10-20(13)14/h12,16H,2-11H2,1H3
InChIKeyUIDWEXAMGONQMI-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.11
Rot. Bonds4

About 1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one

1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one (PubChem CID 107077762) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one
PubChem CID107077762
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one
SMILESCC(NCc1nnc2n1CCCC2)C(=O)N1CCCCC1
InChIInChI=1S/C15H25N5O/c1-12(15(21)19-8-4-2-5-9-19)16-11-14-18-17-13-7-3-6-10-20(13)14/h12,16H,2-11H2,1H3
InChIKeyUIDWEXAMGONQMI-UHFFFAOYSA-N
XLogP1.11
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one with MolForge

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Related Compounds

N-(2-methoxyethyl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propanamide
CID 107077761
N-[(4-fluorophenyl)methyl]-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propanamide
CID 167880020
2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)guanidine
CID 119117483
2-methoxy-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)butanamide
CID 47460581
(2R)-2-methoxy-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)butanamide
CID 94216506
N-[3-methyl-1-oxo-1-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperazin-1-yl]butan-2-yl]acetamide
CID 17480903
1-piperidin-1-yl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)cyclohexane-1-carboxamide
CID 50977682
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
CID 51083693
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 113429056
2,3,5,6-tetramethyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)benzamide
CID 46999266
N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine
CID 81057329
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 115588889

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one?
The IUPAC name of 1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one (CID 107077762) is 1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one is CC(NCc1nnc2n1CCCC2)C(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one?
The InChIKey is UIDWEXAMGONQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-12(15(21)19-8-4-2-5-9-19)16-11-14-18-17-13-7-3-6-10-20(13)14/h12,16H,2-11H2,1H3.
What are the key properties of 1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one?
1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one has a molecular weight of 291.40 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one is sourced from PubChem (CID 107077762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).