2-[acetyl(2-methylpropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide

C19H29N3O2 — CID 113158964

IUPAC2-[acetyl(2-methylpropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(N2CCCCC2)cc1)CC(C)C
InChIInChI=1S/C19H29N3O2/c1-15(2)13-22(16(3)23)14-19(24)20-17-7-9-18(10-8-17)21-11-5-4-6-12-21/h7-10,15H,4-6,11-14H2,1-3H3,(H,20,24)
InChIKeyPVAQDBXURARZAY-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.12
Rot. Bonds6

About 2-[acetyl(2-methylpropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide

2-[acetyl(2-methylpropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 113158964) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[acetyl(2-methylpropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(2-methylpropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID113158964
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-[acetyl(2-methylpropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(N2CCCCC2)cc1)CC(C)C
InChIInChI=1S/C19H29N3O2/c1-15(2)13-22(16(3)23)14-19(24)20-17-7-9-18(10-8-17)21-11-5-4-6-12-21/h7-10,15H,4-6,11-14H2,1-3H3,(H,20,24)
InChIKeyPVAQDBXURARZAY-UHFFFAOYSA-N
XLogP3.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[acetyl(2-methylpropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113116063
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 113162820
2-(diethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51178920
N-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113177065
methyl 4-[[2-[acetyl(2-methylpropyl)amino]acetyl]amino]benzoate
CID 113158958
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113162989
2-(N,4-diacetylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 113175689
2-[butan-2-yl(methylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 113148782
2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113163325
N-(3-methylbutyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108951836
2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 60661179
3-[acetyl(3-methylbutyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 113122956

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(2-methylpropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[acetyl(2-methylpropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide (CID 113158964) is 2-[acetyl(2-methylpropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(2-methylpropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(2-methylpropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(N2CCCCC2)cc1)CC(C)C.
What is the InChIKey of 2-[acetyl(2-methylpropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is PVAQDBXURARZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15(2)13-22(16(3)23)14-19(24)20-17-7-9-18(10-8-17)21-11-5-4-6-12-21/h7-10,15H,4-6,11-14H2,1-3H3,(H,20,24).
What are the key properties of 2-[acetyl(2-methylpropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
2-[acetyl(2-methylpropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 331.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(2-methylpropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 113158964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).