2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(3-methylphenyl)propanamide

C22H30N6O4 — CID 155901689

IUPAC2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(3-methylphenyl)propanamide
SMILESCOc1nc(OC)nc(N2CCC(NC(=O)C(Cc3cccc(C)c3)NC(C)=O)CC2)n1
InChIInChI=1S/C22H30N6O4/c1-14-6-5-7-16(12-14)13-18(23-15(2)29)19(30)24-17-8-10-28(11-9-17)20-25-21(31-3)27-22(26-20)32-4/h5-7,12,17-18H,8-11,13H2,1-4H3,(H,23,29)(H,24,30)
InChIKeyVTNKQVQIGIRVSN-UHFFFAOYSA-N
MW442.52 g/mol
LogP1.03
Rot. Bonds8

About 2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(3-methylphenyl)propanamide

2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(3-methylphenyl)propanamide (PubChem CID 155901689) has the molecular formula C22H30N6O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(3-methylphenyl)propanamide
PubChem CID155901689
Molecular FormulaC22H30N6O4
Molecular Weight442.52 g/mol
Exact Mass442.23
IUPAC Name2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(3-methylphenyl)propanamide
SMILESCOc1nc(OC)nc(N2CCC(NC(=O)C(Cc3cccc(C)c3)NC(C)=O)CC2)n1
InChIInChI=1S/C22H30N6O4/c1-14-6-5-7-16(12-14)13-18(23-15(2)29)19(30)24-17-8-10-28(11-9-17)20-25-21(31-3)27-22(26-20)32-4/h5-7,12,17-18H,8-11,13H2,1-4H3,(H,23,29)(H,24,30)
InChIKeyVTNKQVQIGIRVSN-UHFFFAOYSA-N
XLogP1.03
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(3-methylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-acetamido-3-(3-methylphenyl)-N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]propanamide
CID 7451750
2-acetamido-N-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide
CID 6487306
2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 110712574
(2R)-2-acetamido-3-(3-fluorophenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide
CID 7407153
(2S)-2-acetamido-3-(3-methoxyphenyl)-N-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)propanamide
CID 40783703
2-acetamido-3-(3,5-dimethoxyphenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide
CID 3227076
N-(1-acetylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 110715006
(2S)-2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 7407179
2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 3227061
4-[[(2S)-2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 7407157
2-acetamido-3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 652749
4-[[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 6487379

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(3-methylphenyl)propanamide?
The IUPAC name of 2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(3-methylphenyl)propanamide (CID 155901689) is 2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(3-methylphenyl)propanamide.
What is the SMILES notation for 2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(3-methylphenyl)propanamide?
The canonical SMILES for 2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(3-methylphenyl)propanamide is COc1nc(OC)nc(N2CCC(NC(=O)C(Cc3cccc(C)c3)NC(C)=O)CC2)n1.
What is the InChIKey of 2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(3-methylphenyl)propanamide?
The InChIKey is VTNKQVQIGIRVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O4/c1-14-6-5-7-16(12-14)13-18(23-15(2)29)19(30)24-17-8-10-28(11-9-17)20-25-21(31-3)27-22(26-20)32-4/h5-7,12,17-18H,8-11,13H2,1-4H3,(H,23,29)(H,24,30).
What are the key properties of 2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(3-methylphenyl)propanamide?
2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(3-methylphenyl)propanamide has a molecular weight of 442.52 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 155901689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).