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

C16H22ClN5O2 — CID 119441642

IUPACN-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide;hydrochloride
SMILESCN(C(=O)CCn1nnc2ccccc2c1=O)C1CCNCC1.Cl
InChIInChI=1S/C16H21N5O2.ClH/c1-20(12-6-9-17-10-7-12)15(22)8-11-21-16(23)13-4-2-3-5-14(13)18-19-21;/h2-5,12,17H,6-11H2,1H3;1H
InChIKeyZFQHBSHXICUVIT-UHFFFAOYSA-N
MW351.84 g/mol
LogP0.81
Rot. Bonds4

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

N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide;hydrochloride (PubChem CID 119441642) has the molecular formula C16H22ClN5O2 and a molecular weight of 351.84 g/mol. Its IUPAC name is N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide;hydrochloride
PubChem CID119441642
Molecular FormulaC16H22ClN5O2
Molecular Weight351.84 g/mol
Exact Mass351.15
IUPAC NameN-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide;hydrochloride
SMILESCN(C(=O)CCn1nnc2ccccc2c1=O)C1CCNCC1.Cl
InChIInChI=1S/C16H21N5O2.ClH/c1-20(12-6-9-17-10-7-12)15(22)8-11-21-16(23)13-4-2-3-5-14(13)18-19-21;/h2-5,12,17H,6-11H2,1H3;1H
InChIKeyZFQHBSHXICUVIT-UHFFFAOYSA-N
XLogP0.81
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 34248936
N-(4-methoxycyclohexyl)-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 56805820
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530272
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide
CID 119386440
N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 60579590
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442716
N-(cyclopropylmethyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-propylpropanamide
CID 134061886
3-[[azetidin-3-yl(methyl)amino]methyl]-1,2,3-benzotriazin-4-one
CID 66186189
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 51328770
3-[3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-oxopropyl]-1,2,3-benzotriazin-4-one;hydrochloride
CID 120656482
3-[3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-oxopropyl]-1,2,3-benzotriazin-4-one;hydrochloride
CID 119635546
N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 38227876

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide;hydrochloride?
The IUPAC name of N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide;hydrochloride (CID 119441642) is N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide;hydrochloride.
What is the SMILES notation for N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide;hydrochloride?
The canonical SMILES for N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide;hydrochloride is CN(C(=O)CCn1nnc2ccccc2c1=O)C1CCNCC1.Cl.
What is the InChIKey of N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide;hydrochloride?
The InChIKey is ZFQHBSHXICUVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2.ClH/c1-20(12-6-9-17-10-7-12)15(22)8-11-21-16(23)13-4-2-3-5-14(13)18-19-21;/h2-5,12,17H,6-11H2,1H3;1H.
What are the key properties of N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide;hydrochloride?
N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide;hydrochloride has a molecular weight of 351.84 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide;hydrochloride is sourced from PubChem (CID 119441642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).