2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide

C18H27N3O2 — CID 87020158

IUPAC2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide
SMILESCC(=O)NC(C)C(=O)NC1CCN(Cc2ccccc2C)CC1
InChIInChI=1S/C18H27N3O2/c1-13-6-4-5-7-16(13)12-21-10-8-17(9-11-21)20-18(23)14(2)19-15(3)22/h4-7,14,17H,8-12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyRXRBYRZPWMIUPZ-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.60
Rot. Bonds5

About 2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide

2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide (PubChem CID 87020158) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide
PubChem CID87020158
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide
SMILESCC(=O)NC(C)C(=O)NC1CCN(Cc2ccccc2C)CC1
InChIInChI=1S/C18H27N3O2/c1-13-6-4-5-7-16(13)12-21-10-8-17(9-11-21)20-18(23)14(2)19-15(3)22/h4-7,14,17H,8-12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyRXRBYRZPWMIUPZ-UHFFFAOYSA-N
XLogP1.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide
CID 55753716
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]furan-3-carboxamide
CID 136577828
N-[1-[(2-hydroxy-3-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 112553604
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 119043015
2-[(Z)-(1-amino-2-methylpropylidene)amino]oxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 167988186
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 136577829
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-nitrobenzamide
CID 55753843
2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide
CID 55911896
N-[(2R)-3-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-1-oxobutan-2-yl]acetamide
CID 8641727
(2S)-N-(cyclohexylcarbamoyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9257137
1-(2-ethyl-2-hydroxybutyl)-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea
CID 110910101
2-(2-butan-2-ylphenoxy)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 55753957

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of 2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide (CID 87020158) is 2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide is CC(=O)NC(C)C(=O)NC1CCN(Cc2ccccc2C)CC1.
What is the InChIKey of 2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide?
The InChIKey is RXRBYRZPWMIUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-6-4-5-7-16(13)12-21-10-8-17(9-11-21)20-18(23)14(2)19-15(3)22/h4-7,14,17H,8-12H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide?
2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide has a molecular weight of 317.43 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 87020158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).