2-cyclohexyl-N-[(2S)-1-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide

C18H32N2O4 — CID 164631551

IUPAC2-cyclohexyl-N-[(2S)-1-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCOCC1(O)CCN(C(=O)[C@H](C)NC(=O)CC2CCCCC2)CC1
InChIInChI=1S/C18H32N2O4/c1-14(19-16(21)12-15-6-4-3-5-7-15)17(22)20-10-8-18(23,9-11-20)13-24-2/h14-15,23H,3-13H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyLHVUKSGPYOMDBI-AWEZNQCLSA-N
MW340.46 g/mol
LogP1.46
Rot. Bonds6

About 2-cyclohexyl-N-[(2S)-1-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide

2-cyclohexyl-N-[(2S)-1-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide (PubChem CID 164631551) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(2S)-1-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[(2S)-1-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide
PubChem CID164631551
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Name2-cyclohexyl-N-[(2S)-1-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCOCC1(O)CCN(C(=O)[C@H](C)NC(=O)CC2CCCCC2)CC1
InChIInChI=1S/C18H32N2O4/c1-14(19-16(21)12-15-6-4-3-5-7-15)17(22)20-10-8-18(23,9-11-20)13-24-2/h14-15,23H,3-13H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyLHVUKSGPYOMDBI-AWEZNQCLSA-N
XLogP1.46
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide;hydrochloride
CID 119647793
2-cyclopentyl-N-[(2R)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]acetamide
CID 95153781
2-cyclohexyl-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride
CID 119418106
N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide;hydrochloride
CID 119664253
methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate
CID 54564390
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
1-[2-[(2-cyclohexylacetyl)amino]propanoyl]piperidine-2-carboxylic acid
CID 119175764
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide;hydrochloride
CID 119634129
(3R,4R)-1-[2-[(2-cyclohexylacetyl)amino]propanoyl]-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120978984
tert-butyl (2S)-2-[(2-cycloheptylacetyl)amino]propanoate
CID 103822349
2-cyclohexyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride
CID 119473107
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119757780

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(2S)-1-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[(2S)-1-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide (CID 164631551) is 2-cyclohexyl-N-[(2S)-1-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[(2S)-1-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[(2S)-1-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide is COCC1(O)CCN(C(=O)[C@H](C)NC(=O)CC2CCCCC2)CC1.
What is the InChIKey of 2-cyclohexyl-N-[(2S)-1-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide?
The InChIKey is LHVUKSGPYOMDBI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-14(19-16(21)12-15-6-4-3-5-7-15)17(22)20-10-8-18(23,9-11-20)13-24-2/h14-15,23H,3-13H2,1-2H3,(H,19,21)/t14-/m0/s1.
What are the key properties of 2-cyclohexyl-N-[(2S)-1-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide?
2-cyclohexyl-N-[(2S)-1-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide has a molecular weight of 340.46 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(2S)-1-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 164631551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).