3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide

C15H19N5O2 — CID 119386440

IUPAC3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide
SMILESO=C(CCn1nnc2ccccc2c1=O)NC1CCNCC1
InChIInChI=1S/C15H19N5O2/c21-14(17-11-5-8-16-9-6-11)7-10-20-15(22)12-3-1-2-4-13(12)18-19-20/h1-4,11,16H,5-10H2,(H,17,21)
InChIKeyKOOUNXVNEJVDMB-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.05
Rot. Bonds4

About 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide

3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide (PubChem CID 119386440) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide.

Molecular Properties

Compound Name3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide
PubChem CID119386440
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide
SMILESO=C(CCn1nnc2ccccc2c1=O)NC1CCNCC1
InChIInChI=1S/C15H19N5O2/c21-14(17-11-5-8-16-9-6-11)7-10-20-15(22)12-3-1-2-4-13(12)18-19-20/h1-4,11,16H,5-10H2,(H,17,21)
InChIKeyKOOUNXVNEJVDMB-UHFFFAOYSA-N
XLogP0.05
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 38548825
N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119441642
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 38025783
N-(2,3-dimethylcyclohexyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 23988000
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 100839185
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391217
N-(2-amino-1-cyclopropylethyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 119613467
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 55945963
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(4-oxoquinazolin-3-yl)propanamide
CID 134061354
N-cyclopropyl-2-[methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]amino]acetamide
CID 9286183
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530272
N-(2-methylphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 39428140

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide?
The IUPAC name of 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide (CID 119386440) is 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide.
What is the SMILES notation for 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide?
The canonical SMILES for 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide is O=C(CCn1nnc2ccccc2c1=O)NC1CCNCC1.
What is the InChIKey of 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide?
The InChIKey is KOOUNXVNEJVDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c21-14(17-11-5-8-16-9-6-11)7-10-20-15(22)12-3-1-2-4-13(12)18-19-20/h1-4,11,16H,5-10H2,(H,17,21).
What are the key properties of 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide?
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide has a molecular weight of 301.35 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide is sourced from PubChem (CID 119386440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).