2-(3-acetamidopiperidin-1-yl)-N-(2-propan-2-ylphenyl)propanamide

C19H29N3O2 — CID 87014527

IUPAC2-(3-acetamidopiperidin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(=O)NC1CCCN(C(C)C(=O)Nc2ccccc2C(C)C)C1
InChIInChI=1S/C19H29N3O2/c1-13(2)17-9-5-6-10-18(17)21-19(24)14(3)22-11-7-8-16(12-22)20-15(4)23/h5-6,9-10,13-14,16H,7-8,11-12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyZRPIZTGBJUVXBW-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.74
Rot. Bonds5

About 2-(3-acetamidopiperidin-1-yl)-N-(2-propan-2-ylphenyl)propanamide

2-(3-acetamidopiperidin-1-yl)-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 87014527) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-(3-acetamidopiperidin-1-yl)-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(3-acetamidopiperidin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
PubChem CID87014527
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-(3-acetamidopiperidin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(=O)NC1CCCN(C(C)C(=O)Nc2ccccc2C(C)C)C1
InChIInChI=1S/C19H29N3O2/c1-13(2)17-9-5-6-10-18(17)21-19(24)14(3)22-11-7-8-16(12-22)20-15(4)23/h5-6,9-10,13-14,16H,7-8,11-12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyZRPIZTGBJUVXBW-UHFFFAOYSA-N
XLogP2.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9460394
(2R)-2-[(3R)-3-methyl-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 124856380
2-[3-(methylamino)piperidin-1-yl]-N-(2-nitrophenyl)propanamide
CID 119919331
2-(3-acetamidopiperidin-1-yl)-2-phenyl-N-propan-2-ylacetamide
CID 75461568
(3S)-1-[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 9304838
(2R)-2-[(3R)-3-acetamidopiperidin-1-yl]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide
CID 100837005
(3S)-1-[(2S)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 9304844
(2S)-N-(2-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275560
2-(3-acetamidopiperidin-1-yl)-2-phenylacetic acid
CID 136550153
(2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 9275425
(2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9250174
N-(2,3-dichlorophenyl)-2-(3-hydroxypiperidin-1-yl)propanamide
CID 47103111

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidopiperidin-1-yl)-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-(3-acetamidopiperidin-1-yl)-N-(2-propan-2-ylphenyl)propanamide (CID 87014527) is 2-(3-acetamidopiperidin-1-yl)-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-(3-acetamidopiperidin-1-yl)-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-(3-acetamidopiperidin-1-yl)-N-(2-propan-2-ylphenyl)propanamide is CC(=O)NC1CCCN(C(C)C(=O)Nc2ccccc2C(C)C)C1.
What is the InChIKey of 2-(3-acetamidopiperidin-1-yl)-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is ZRPIZTGBJUVXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-13(2)17-9-5-6-10-18(17)21-19(24)14(3)22-11-7-8-16(12-22)20-15(4)23/h5-6,9-10,13-14,16H,7-8,11-12H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of 2-(3-acetamidopiperidin-1-yl)-N-(2-propan-2-ylphenyl)propanamide?
2-(3-acetamidopiperidin-1-yl)-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 331.46 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidopiperidin-1-yl)-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 87014527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).