1-acetyl-N-[2-(3-acetylphenyl)ethyl]piperidine-4-carboxamide

C18H24N2O3 — CID 90729185

IUPAC1-acetyl-N-[2-(3-acetylphenyl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)c1cccc(CCNC(=O)C2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C18H24N2O3/c1-13(21)17-5-3-4-15(12-17)6-9-19-18(23)16-7-10-20(11-8-16)14(2)22/h3-5,12,16H,6-11H2,1-2H3,(H,19,23)
InChIKeyKTSPLWFTVHQQOC-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.81
Rot. Bonds5

About 1-acetyl-N-[2-(3-acetylphenyl)ethyl]piperidine-4-carboxamide

1-acetyl-N-[2-(3-acetylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 90729185) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-acetyl-N-[2-(3-acetylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(3-acetylphenyl)ethyl]piperidine-4-carboxamide
PubChem CID90729185
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-acetyl-N-[2-(3-acetylphenyl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)c1cccc(CCNC(=O)C2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C18H24N2O3/c1-13(21)17-5-3-4-15(12-17)6-9-19-18(23)16-7-10-20(11-8-16)14(2)22/h3-5,12,16H,6-11H2,1-2H3,(H,19,23)
InChIKeyKTSPLWFTVHQQOC-UHFFFAOYSA-N
XLogP1.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 110795075
1-acetyl-N-[2-(2-hydroxyphenyl)ethyl]piperidine-4-carboxamide
CID 110672379
1-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 6465009
1-(3-acetylphenyl)sulfonyl-N-[2-(3-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 39730733
3-[2-(cycloheptanecarbonylamino)ethyl]benzoic acid
CID 63795982
3-[2-(cyclohexanecarbonylamino)ethyl]benzoic acid
CID 63795104
1-acetyl-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110795515
N-[2-(3-chlorophenyl)ethyl]-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113005954
1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide
CID 42878771
N-[2-(3-fluorophenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32796393
1-acetyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-4-carboxamide
CID 110796341
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(3-acetylphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(3-acetylphenyl)ethyl]piperidine-4-carboxamide (CID 90729185) is 1-acetyl-N-[2-(3-acetylphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(3-acetylphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(3-acetylphenyl)ethyl]piperidine-4-carboxamide is CC(=O)c1cccc(CCNC(=O)C2CCN(C(C)=O)CC2)c1.
What is the InChIKey of 1-acetyl-N-[2-(3-acetylphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is KTSPLWFTVHQQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13(21)17-5-3-4-15(12-17)6-9-19-18(23)16-7-10-20(11-8-16)14(2)22/h3-5,12,16H,6-11H2,1-2H3,(H,19,23).
What are the key properties of 1-acetyl-N-[2-(3-acetylphenyl)ethyl]piperidine-4-carboxamide?
1-acetyl-N-[2-(3-acetylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(3-acetylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 90729185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).