3-acetamido-3-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)propanamide

C18H27N3O2 — CID 120576079

IUPAC3-acetamido-3-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)propanamide
SMILESCC(=O)NC(CC(=O)NC1CCCNC1C)c1ccc(C)cc1
InChIInChI=1S/C18H27N3O2/c1-12-6-8-15(9-7-12)17(20-14(3)22)11-18(23)21-16-5-4-10-19-13(16)2/h6-9,13,16-17,19H,4-5,10-11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyHCSCZIALWQZQST-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.82
Rot. Bonds5

About 3-acetamido-3-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)propanamide

3-acetamido-3-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)propanamide (PubChem CID 120576079) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-acetamido-3-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)propanamide
PubChem CID120576079
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-acetamido-3-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)propanamide
SMILESCC(=O)NC(CC(=O)NC1CCCNC1C)c1ccc(C)cc1
InChIInChI=1S/C18H27N3O2/c1-12-6-8-15(9-7-12)17(20-14(3)22)11-18(23)21-16-5-4-10-19-13(16)2/h6-9,13,16-17,19H,4-5,10-11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyHCSCZIALWQZQST-UHFFFAOYSA-N
XLogP1.82
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)propanamide?
The IUPAC name of 3-acetamido-3-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)propanamide (CID 120576079) is 3-acetamido-3-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)propanamide.
What is the SMILES notation for 3-acetamido-3-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)propanamide?
The canonical SMILES for 3-acetamido-3-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)propanamide is CC(=O)NC(CC(=O)NC1CCCNC1C)c1ccc(C)cc1.
What is the InChIKey of 3-acetamido-3-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)propanamide?
The InChIKey is HCSCZIALWQZQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-12-6-8-15(9-7-12)17(20-14(3)22)11-18(23)21-16-5-4-10-19-13(16)2/h6-9,13,16-17,19H,4-5,10-11H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 3-acetamido-3-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)propanamide?
3-acetamido-3-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)propanamide has a molecular weight of 317.43 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)propanamide is sourced from PubChem (CID 120576079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).