2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N-[(1R,3S)-3-methylcyclohexyl]acetamide

C18H33N3O3 — CID 95172406

IUPAC2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N-[(1R,3S)-3-methylcyclohexyl]acetamide
SMILESCCOCCC(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1
InChIInChI=1S/C18H33N3O3/c1-3-24-12-7-18(23)21-10-8-20(9-11-21)14-17(22)19-16-6-4-5-15(2)13-16/h15-16H,3-14H2,1-2H3,(H,19,22)/t15-,16+/m0/s1
InChIKeyAFGSVEWOXMPLIY-JKSUJKDBSA-N
MW339.48 g/mol
LogP1.25
Rot. Bonds7

About 2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N-[(1R,3S)-3-methylcyclohexyl]acetamide

2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N-[(1R,3S)-3-methylcyclohexyl]acetamide (PubChem CID 95172406) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N-[(1R,3S)-3-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N-[(1R,3S)-3-methylcyclohexyl]acetamide
PubChem CID95172406
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N-[(1R,3S)-3-methylcyclohexyl]acetamide
SMILESCCOCCC(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1
InChIInChI=1S/C18H33N3O3/c1-3-24-12-7-18(23)21-10-8-20(9-11-21)14-17(22)19-16-6-4-5-15(2)13-16/h15-16H,3-14H2,1-2H3,(H,19,22)/t15-,16+/m0/s1
InChIKeyAFGSVEWOXMPLIY-JKSUJKDBSA-N
XLogP1.25
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-ethoxyacetyl)piperazin-1-yl]-N-[(1R,3S)-3-methylcyclohexyl]acetamide
CID 95172388
2-[4-(2-ethoxyacetyl)piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide
CID 95172391
2-[4-(4-aminopentanoyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
CID 120565362
2-[4-(3-aminobutanoyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide;dihydrochloride
CID 119876812
N-(3-methylcyclohexyl)-2-[4-(3,4,4-trimethylpentanoyl)piperazin-1-yl]acetamide
CID 86901724
2-[4-[(1R,5R)-bicyclo[3.1.0]hexane-6-carbonyl]piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide
CID 100896929
N-[(1S,3R)-3-methylcyclohexyl]-2-[4-[(3R)-oxolane-3-carbonyl]piperazin-1-yl]acetamide
CID 95617402
2-[4-(3-ethoxypropanoyl)piperazin-1-yl]acetic acid
CID 62590443
N-(3-methylcyclohexyl)-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]acetamide;dihydrochloride
CID 119876760
2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
CID 119876809
N-cyclopropyl-2-[4-(3-propan-2-yloxypropanoyl)piperazin-1-yl]acetamide
CID 86929481
N-cyclopropyl-2-(4-pentanoylpiperazin-1-yl)acetamide
CID 110709694

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N-[(1R,3S)-3-methylcyclohexyl]acetamide?
The IUPAC name of 2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N-[(1R,3S)-3-methylcyclohexyl]acetamide (CID 95172406) is 2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N-[(1R,3S)-3-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N-[(1R,3S)-3-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N-[(1R,3S)-3-methylcyclohexyl]acetamide is CCOCCC(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1.
What is the InChIKey of 2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N-[(1R,3S)-3-methylcyclohexyl]acetamide?
The InChIKey is AFGSVEWOXMPLIY-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-3-24-12-7-18(23)21-10-8-20(9-11-21)14-17(22)19-16-6-4-5-15(2)13-16/h15-16H,3-14H2,1-2H3,(H,19,22)/t15-,16+/m0/s1.
What are the key properties of 2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N-[(1R,3S)-3-methylcyclohexyl]acetamide?
2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N-[(1R,3S)-3-methylcyclohexyl]acetamide has a molecular weight of 339.48 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N-[(1R,3S)-3-methylcyclohexyl]acetamide is sourced from PubChem (CID 95172406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).