N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(1-hydroxycyclohexyl)acetamide

C19H34N2O3 — CID 111536839

IUPACN-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(1-hydroxycyclohexyl)acetamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)CC2(O)CCCCC2)CC1
InChIInChI=1S/C19H34N2O3/c1-3-15(4-2)18(23)21-12-8-16(9-13-21)20-17(22)14-19(24)10-6-5-7-11-19/h15-16,24H,3-14H2,1-2H3,(H,20,22)
InChIKeyNNKHKXZITGCMTG-UHFFFAOYSA-N
MW338.49 g/mol
LogP2.62
Rot. Bonds6

About N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(1-hydroxycyclohexyl)acetamide

N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(1-hydroxycyclohexyl)acetamide (PubChem CID 111536839) has the molecular formula C19H34N2O3 and a molecular weight of 338.49 g/mol. Its IUPAC name is N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(1-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(1-hydroxycyclohexyl)acetamide
PubChem CID111536839
Molecular FormulaC19H34N2O3
Molecular Weight338.49 g/mol
Exact Mass338.26
IUPAC NameN-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(1-hydroxycyclohexyl)acetamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)CC2(O)CCCCC2)CC1
InChIInChI=1S/C19H34N2O3/c1-3-15(4-2)18(23)21-12-8-16(9-13-21)20-17(22)14-19(24)10-6-5-7-11-19/h15-16,24H,3-14H2,1-2H3,(H,20,22)
InChIKeyNNKHKXZITGCMTG-UHFFFAOYSA-N
XLogP2.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
CID 110820033
N-[1-(2-ethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 60550291
N-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide
CID 124507283
N-(4,4-dimethylcyclohexyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111540205
N-[1-[2-(aminomethyl)butanoyl]piperidin-4-yl]propanamide
CID 65227339
2-(1-aminocyclopentyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 64686035
3-cyclopentylsulfonyl-N-[1-(2-ethylbutanoyl)piperidin-4-yl]propanamide
CID 55950906
N-cyclohexyl-4-(2-ethylbutanoyl)-1,4-diazepane-1-carboxamide
CID 110811406
2-cyclopentyl-N-[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]acetamide
CID 111538308
2-(1-hydroxycyclohexyl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 111331748
2-(1-hydroxycyclohexyl)-N-(3-methylcyclohexyl)acetamide
CID 111464407
N-cyclopropyl-2-[2-[(3S)-1-(2-ethylbutanoyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 124946965

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(1-hydroxycyclohexyl)acetamide?
The IUPAC name of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(1-hydroxycyclohexyl)acetamide (CID 111536839) is N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(1-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(1-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(1-hydroxycyclohexyl)acetamide is CCC(CC)C(=O)N1CCC(NC(=O)CC2(O)CCCCC2)CC1.
What is the InChIKey of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(1-hydroxycyclohexyl)acetamide?
The InChIKey is NNKHKXZITGCMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O3/c1-3-15(4-2)18(23)21-12-8-16(9-13-21)20-17(22)14-19(24)10-6-5-7-11-19/h15-16,24H,3-14H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(1-hydroxycyclohexyl)acetamide?
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(1-hydroxycyclohexyl)acetamide has a molecular weight of 338.49 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(1-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 111536839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).