2-(2-ethylpiperidin-1-yl)-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide

C22H32N2O2 — CID 108510763

IUPAC2-(2-ethylpiperidin-1-yl)-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
SMILESCCC(NC(=O)C(=O)N1CCCCC1CC)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H32N2O2/c1-3-19-11-7-8-14-24(19)22(26)21(25)23-20(4-2)18-13-12-16-9-5-6-10-17(16)15-18/h12-13,15,19-20H,3-11,14H2,1-2H3,(H,23,25)
InChIKeyWZIOVAVOEHLPKT-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.92
Rot. Bonds4

About 2-(2-ethylpiperidin-1-yl)-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide

2-(2-ethylpiperidin-1-yl)-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide (PubChem CID 108510763) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
PubChem CID108510763
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name2-(2-ethylpiperidin-1-yl)-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
SMILESCCC(NC(=O)C(=O)N1CCCCC1CC)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H32N2O2/c1-3-19-11-7-8-14-24(19)22(26)21(25)23-20(4-2)18-13-12-16-9-5-6-10-17(16)15-18/h12-13,15,19-20H,3-11,14H2,1-2H3,(H,23,25)
InChIKeyWZIOVAVOEHLPKT-UHFFFAOYSA-N
XLogP3.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 108505562
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 127117899
2-oxo-2-(4-phenylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 108510874
2-(2-methylpiperidin-1-yl)-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 108511212
1-[(4-chlorophenyl)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide
CID 133191601
N-[1-(1-adamantyl)ethyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108509001
N-(2-tert-butylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510829
N-(3-chloro-4-methoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108501153
N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
CID 108522277
N-(2,4-dimethylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510706
(3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-3-carboxamide
CID 125086257
1-phenyl-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975074

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide (CID 108510763) is 2-(2-ethylpiperidin-1-yl)-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide is CCC(NC(=O)C(=O)N1CCCCC1CC)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?
The InChIKey is WZIOVAVOEHLPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-3-19-11-7-8-14-24(19)22(26)21(25)23-20(4-2)18-13-12-16-9-5-6-10-17(16)15-18/h12-13,15,19-20H,3-11,14H2,1-2H3,(H,23,25).
What are the key properties of 2-(2-ethylpiperidin-1-yl)-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?
2-(2-ethylpiperidin-1-yl)-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide has a molecular weight of 356.51 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide is sourced from PubChem (CID 108510763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).