1-acetyl-N-ethyl-3-hydroxy-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide

C18H26N2O3 — CID 154739173

IUPAC1-acetyl-N-ethyl-3-hydroxy-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCCN(Cc1ccccc1C)C(=O)C1(O)CCCN(C(C)=O)C1
InChIInChI=1S/C18H26N2O3/c1-4-19(12-16-9-6-5-8-14(16)2)17(22)18(23)10-7-11-20(13-18)15(3)21/h5-6,8-9,23H,4,7,10-13H2,1-3H3
InChIKeyKZUQPMDGKNGSBS-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.72
Rot. Bonds4

About 1-acetyl-N-ethyl-3-hydroxy-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide

1-acetyl-N-ethyl-3-hydroxy-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 154739173) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-acetyl-N-ethyl-3-hydroxy-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-ethyl-3-hydroxy-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID154739173
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-acetyl-N-ethyl-3-hydroxy-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCCN(Cc1ccccc1C)C(=O)C1(O)CCCN(C(C)=O)C1
InChIInChI=1S/C18H26N2O3/c1-4-19(12-16-9-6-5-8-14(16)2)17(22)18(23)10-7-11-20(13-18)15(3)21/h5-6,8-9,23H,4,7,10-13H2,1-3H3
InChIKeyKZUQPMDGKNGSBS-UHFFFAOYSA-N
XLogP1.72
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxypiperidine-3-carboxamide
CID 154739270
N-[(2-methylphenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113161360
1-acetyl-N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-N-methylpiperidine-3-carboxamide
CID 128985956
1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-N-methylpiperidine-3-carboxamide
CID 128989014
1-[3-(4-benzylpiperazine-1-carbonyl)-3-hydroxypiperidin-1-yl]ethanone
CID 128985646
1-[(3S)-3-hydroxy-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 129486667
2-[2-[ethyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]benzoic acid
CID 120690659
ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate
CID 45172161
3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 146130229
4-[ethyl-[(2-methylphenyl)methyl]amino]-4-oxobutanoic acid
CID 39351791
N-ethyl-N-[(2-methylphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119288633
2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 132948417

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-ethyl-3-hydroxy-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-ethyl-3-hydroxy-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide (CID 154739173) is 1-acetyl-N-ethyl-3-hydroxy-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-ethyl-3-hydroxy-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-ethyl-3-hydroxy-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide is CCN(Cc1ccccc1C)C(=O)C1(O)CCCN(C(C)=O)C1.
What is the InChIKey of 1-acetyl-N-ethyl-3-hydroxy-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is KZUQPMDGKNGSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-19(12-16-9-6-5-8-14(16)2)17(22)18(23)10-7-11-20(13-18)15(3)21/h5-6,8-9,23H,4,7,10-13H2,1-3H3.
What are the key properties of 1-acetyl-N-ethyl-3-hydroxy-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
1-acetyl-N-ethyl-3-hydroxy-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-ethyl-3-hydroxy-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 154739173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).