N-[3-(cyclohexylmethoxy)-1-(2-formylpiperidin-1-yl)-1-oxobutan-2-yl]acetamide

C19H32N2O4 — CID 170758965

IUPACN-[3-(cyclohexylmethoxy)-1-(2-formylpiperidin-1-yl)-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCCCC1C=O)C(C)OCC1CCCCC1
InChIInChI=1S/C19H32N2O4/c1-14(25-13-16-8-4-3-5-9-16)18(20-15(2)23)19(24)21-11-7-6-10-17(21)12-22/h12,14,16-18H,3-11,13H2,1-2H3,(H,20,23)
InChIKeyVNUHWLXMXKRVCB-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.06
Rot. Bonds7

About N-[3-(cyclohexylmethoxy)-1-(2-formylpiperidin-1-yl)-1-oxobutan-2-yl]acetamide

N-[3-(cyclohexylmethoxy)-1-(2-formylpiperidin-1-yl)-1-oxobutan-2-yl]acetamide (PubChem CID 170758965) has the molecular formula C19H32N2O4 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[3-(cyclohexylmethoxy)-1-(2-formylpiperidin-1-yl)-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(cyclohexylmethoxy)-1-(2-formylpiperidin-1-yl)-1-oxobutan-2-yl]acetamide
PubChem CID170758965
Molecular FormulaC19H32N2O4
Molecular Weight352.48 g/mol
Exact Mass352.24
IUPAC NameN-[3-(cyclohexylmethoxy)-1-(2-formylpiperidin-1-yl)-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCCCC1C=O)C(C)OCC1CCCCC1
InChIInChI=1S/C19H32N2O4/c1-14(25-13-16-8-4-3-5-9-16)18(20-15(2)23)19(24)21-11-7-6-10-17(21)12-22/h12,14,16-18H,3-11,13H2,1-2H3,(H,20,23)
InChIKeyVNUHWLXMXKRVCB-UHFFFAOYSA-N
XLogP2.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]acetamide
CID 170755642
2-acetamido-3-(cyclopentylmethoxy)-N-methylbutanamide
CID 164605032
methyl N-[(2S,3R)-1-(2-formylpyrrolidin-1-yl)-3-methoxy-1-oxobutan-2-yl]carbamate
CID 155093843
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide
CID 164605028
N-[1,3-bis(cyclohexylmethoxy)butan-2-yl]acetamide
CID 164604144
N-[1-(4,4-difluoropiperidin-1-yl)-3-(oxan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide
CID 164604744
propan-2-yl N-[1-cyclohexyl-2-(2-formylpyrrolidin-1-yl)-2-oxoethyl]carbamate
CID 143315084
2-acetamido-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide
CID 174329363
N-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]formamide
CID 170758430
ethyl 1-[3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanoyl]piperidine-3-carboxylate
CID 171594312
3-(cycloheptylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide
CID 171593836
N-[3-(1-cyclohexylethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide
CID 164604068

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylmethoxy)-1-(2-formylpiperidin-1-yl)-1-oxobutan-2-yl]acetamide?
The IUPAC name of N-[3-(cyclohexylmethoxy)-1-(2-formylpiperidin-1-yl)-1-oxobutan-2-yl]acetamide (CID 170758965) is N-[3-(cyclohexylmethoxy)-1-(2-formylpiperidin-1-yl)-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[3-(cyclohexylmethoxy)-1-(2-formylpiperidin-1-yl)-1-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[3-(cyclohexylmethoxy)-1-(2-formylpiperidin-1-yl)-1-oxobutan-2-yl]acetamide is CC(=O)NC(C(=O)N1CCCCC1C=O)C(C)OCC1CCCCC1.
What is the InChIKey of N-[3-(cyclohexylmethoxy)-1-(2-formylpiperidin-1-yl)-1-oxobutan-2-yl]acetamide?
The InChIKey is VNUHWLXMXKRVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4/c1-14(25-13-16-8-4-3-5-9-16)18(20-15(2)23)19(24)21-11-7-6-10-17(21)12-22/h12,14,16-18H,3-11,13H2,1-2H3,(H,20,23).
What are the key properties of N-[3-(cyclohexylmethoxy)-1-(2-formylpiperidin-1-yl)-1-oxobutan-2-yl]acetamide?
N-[3-(cyclohexylmethoxy)-1-(2-formylpiperidin-1-yl)-1-oxobutan-2-yl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylmethoxy)-1-(2-formylpiperidin-1-yl)-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 170758965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).