N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

C23H27N5O3 — CID 55945963

IUPACN-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESCOc1cccc(CN2CCC(NC(=O)CCn3nnc4ccccc4c3=O)CC2)c1
InChIInChI=1S/C23H27N5O3/c1-31-19-6-4-5-17(15-19)16-27-12-9-18(10-13-27)24-22(29)11-14-28-23(30)20-7-2-3-8-21(20)25-26-28/h2-8,15,18H,9-14,16H2,1H3,(H,24,29)
InChIKeyAWKVTHXWKIPOQS-UHFFFAOYSA-N
MW421.50 g/mol
LogP1.97
Rot. Bonds7

About N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (PubChem CID 55945963) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.

Molecular Properties

Compound NameN-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
PubChem CID55945963
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESCOc1cccc(CN2CCC(NC(=O)CCn3nnc4ccccc4c3=O)CC2)c1
InChIInChI=1S/C23H27N5O3/c1-31-19-6-4-5-17(15-19)16-27-12-9-18(10-13-27)24-22(29)11-14-28-23(30)20-7-2-3-8-21(20)25-26-28/h2-8,15,18H,9-14,16H2,1H3,(H,24,29)
InChIKeyAWKVTHXWKIPOQS-UHFFFAOYSA-N
XLogP1.97
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 38548825
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide
CID 51123832
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide
CID 119386440
3-(3-methoxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 91838188
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(3-phenoxyphenyl)methyl]propanamide
CID 39576535
N-(3,5-dimethoxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4907081
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 55945706
3-(3-but-3-ynyldiazirin-3-yl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide
CID 154783215
tert-butyl N-[3-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 55945960
N-(1-ethylpiperidin-4-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 36813609
N-(1-benzylpiperidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 25392161
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-[(2S)-oxolan-2-yl]propanamide
CID 94820300

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The IUPAC name of N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (CID 55945963) is N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.
What is the SMILES notation for N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The canonical SMILES for N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is COc1cccc(CN2CCC(NC(=O)CCn3nnc4ccccc4c3=O)CC2)c1.
What is the InChIKey of N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The InChIKey is AWKVTHXWKIPOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-31-19-6-4-5-17(15-19)16-27-12-9-18(10-13-27)24-22(29)11-14-28-23(30)20-7-2-3-8-21(20)25-26-28/h2-8,15,18H,9-14,16H2,1H3,(H,24,29).
What are the key properties of N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide has a molecular weight of 421.50 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is sourced from PubChem (CID 55945963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).