N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-3-(1-methylpiperidin-3-yl)propanamide

C19H29N3O3 — CID 131941622

IUPACN-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-3-(1-methylpiperidin-3-yl)propanamide
SMILESCOCC(=O)Nc1ccc(NC(=O)CCC2CCCN(C)C2)cc1C
InChIInChI=1S/C19H29N3O3/c1-14-11-16(7-8-17(14)21-19(24)13-25-3)20-18(23)9-6-15-5-4-10-22(2)12-15/h7-8,11,15H,4-6,9-10,12-13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyYTZLDVKJFHFQLP-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.64
Rot. Bonds7

About N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-3-(1-methylpiperidin-3-yl)propanamide

N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-3-(1-methylpiperidin-3-yl)propanamide (PubChem CID 131941622) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-3-(1-methylpiperidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-3-(1-methylpiperidin-3-yl)propanamide
PubChem CID131941622
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-3-(1-methylpiperidin-3-yl)propanamide
SMILESCOCC(=O)Nc1ccc(NC(=O)CCC2CCCN(C)C2)cc1C
InChIInChI=1S/C19H29N3O3/c1-14-11-16(7-8-17(14)21-19(24)13-25-3)20-18(23)9-6-15-5-4-10-22(2)12-15/h7-8,11,15H,4-6,9-10,12-13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyYTZLDVKJFHFQLP-UHFFFAOYSA-N
XLogP2.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]acetamide
CID 131904290
N-(2,4-dimethylphenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110857208
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide
CID 97281101
N-(4-methoxy-2-methylphenyl)-3-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide
CID 72909680
methyl 5-[(3R)-3-[3-(4-methoxy-2-methylanilino)-3-oxopropyl]piperidin-1-yl]-5-oxopentanoate
CID 42558129
N-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110857210
N-(3-fluoro-4-methylphenyl)-3-[(3S)-3-(2-methoxyethyl)piperidin-1-yl]propanamide
CID 124752575
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[2-(4-methylphenoxy)acetyl]piperidin-3-yl]propanamide
CID 25381029
N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-(oxan-4-yl)piperidin-3-yl]propanamide
CID 26411725
N-(3-bromo-4-methylphenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110859779
3-[1-(4-acetamidobenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 45241928
methyl 4-(3-cyclohexylpropanoylamino)-3-methylbenzoate
CID 38091591

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-3-(1-methylpiperidin-3-yl)propanamide?
The IUPAC name of N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-3-(1-methylpiperidin-3-yl)propanamide (CID 131941622) is N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-3-(1-methylpiperidin-3-yl)propanamide.
What is the SMILES notation for N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-3-(1-methylpiperidin-3-yl)propanamide?
The canonical SMILES for N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-3-(1-methylpiperidin-3-yl)propanamide is COCC(=O)Nc1ccc(NC(=O)CCC2CCCN(C)C2)cc1C.
What is the InChIKey of N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-3-(1-methylpiperidin-3-yl)propanamide?
The InChIKey is YTZLDVKJFHFQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14-11-16(7-8-17(14)21-19(24)13-25-3)20-18(23)9-6-15-5-4-10-22(2)12-15/h7-8,11,15H,4-6,9-10,12-13H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-3-(1-methylpiperidin-3-yl)propanamide?
N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-3-(1-methylpiperidin-3-yl)propanamide has a molecular weight of 347.46 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-3-(1-methylpiperidin-3-yl)propanamide is sourced from PubChem (CID 131941622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).