4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide

C18H23N5O3 — CID 53299079

IUPAC4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCC1CCCO1)N1CCC(n2nnc3ccccc3c2=O)CC1
InChIInChI=1S/C18H23N5O3/c24-17-15-5-1-2-6-16(15)20-21-23(17)13-7-9-22(10-8-13)18(25)19-12-14-4-3-11-26-14/h1-2,5-6,13-14H,3-4,7-12H2,(H,19,25)
InChIKeyVGKBASHNGGJUQZ-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.32
Rot. Bonds3

About 4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide

4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 53299079) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
PubChem CID53299079
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCC1CCCO1)N1CCC(n2nnc3ccccc3c2=O)CC1
InChIInChI=1S/C18H23N5O3/c24-17-15-5-1-2-6-16(15)20-21-23(17)13-7-9-22(10-8-13)18(25)19-12-14-4-3-11-26-14/h1-2,5-6,13-14H,3-4,7-12H2,(H,19,25)
InChIKeyVGKBASHNGGJUQZ-UHFFFAOYSA-N
XLogP1.32
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one
CID 16669188
3-[1-(2-phenylbutanoyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one
CID 16672276
(3S)-3-(1H-benzimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide
CID 94585398
3-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one
CID 16669189
N-(oxolan-2-ylmethyl)-2-[4-oxo-3-[3-[4-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylquinazolin-3-yl]propyl]quinazolin-2-yl]sulfanylacetamide
CID 46370314
3-(2-methyl-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 36994619
1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 97352945
4-methyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 75864044
4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 126863858
N-[[(2S)-oxolan-2-yl]methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 95157984
N-[[(2R)-oxolan-2-yl]methyl]-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 121496359
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 129416913

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide (CID 53299079) is 4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide is O=C(NCC1CCCO1)N1CCC(n2nnc3ccccc3c2=O)CC1.
What is the InChIKey of 4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide?
The InChIKey is VGKBASHNGGJUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c24-17-15-5-1-2-6-16(15)20-21-23(17)13-7-9-22(10-8-13)18(25)19-12-14-4-3-11-26-14/h1-2,5-6,13-14H,3-4,7-12H2,(H,19,25).
What are the key properties of 4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide?
4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 53299079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).