N-[3-(cyclohexylmethoxy)-1-piperidin-3-yloxybutan-2-yl]acetamide;ethane

C20H40N2O3 — CID 170758808

IUPACN-[3-(cyclohexylmethoxy)-1-piperidin-3-yloxybutan-2-yl]acetamide;ethane
SMILESCC.CC(=O)NC(COC1CCCNC1)C(C)OCC1CCCCC1
InChIInChI=1S/C18H34N2O3.C2H6/c1-14(22-12-16-7-4-3-5-8-16)18(20-15(2)21)13-23-17-9-6-10-19-11-17;1-2/h14,16-19H,3-13H2,1-2H3,(H,20,21);1-2H3
InChIKeySKMHLFIRKUSGKY-UHFFFAOYSA-N
MW356.55 g/mol
LogP3.27
Rot. Bonds8

About N-[3-(cyclohexylmethoxy)-1-piperidin-3-yloxybutan-2-yl]acetamide;ethane

N-[3-(cyclohexylmethoxy)-1-piperidin-3-yloxybutan-2-yl]acetamide;ethane (PubChem CID 170758808) has the molecular formula C20H40N2O3 and a molecular weight of 356.55 g/mol. Its IUPAC name is N-[3-(cyclohexylmethoxy)-1-piperidin-3-yloxybutan-2-yl]acetamide;ethane.

Molecular Properties

Compound NameN-[3-(cyclohexylmethoxy)-1-piperidin-3-yloxybutan-2-yl]acetamide;ethane
PubChem CID170758808
Molecular FormulaC20H40N2O3
Molecular Weight356.55 g/mol
Exact Mass356.30
IUPAC NameN-[3-(cyclohexylmethoxy)-1-piperidin-3-yloxybutan-2-yl]acetamide;ethane
SMILESCC.CC(=O)NC(COC1CCCNC1)C(C)OCC1CCCCC1
InChIInChI=1S/C18H34N2O3.C2H6/c1-14(22-12-16-7-4-3-5-8-16)18(20-15(2)21)13-23-17-9-6-10-19-11-17;1-2/h14,16-19H,3-13H2,1-2H3,(H,20,21);1-2H3
InChIKeySKMHLFIRKUSGKY-UHFFFAOYSA-N
XLogP3.27
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.55
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1,3-bis(cyclohexylmethoxy)butan-2-yl]acetamide
CID 164604144
2-methyl-3-piperidin-3-yloxypropanamide
CID 43312284
3-(cyclobutylmethoxy)piperidine
CID 53409348
2-acetamido-3-(cyclopentylmethoxy)-N-methylbutanamide
CID 164605032
N-(2-methylpropoxy)-2-piperidin-3-ylacetamide
CID 82722311
1-[(3S)-piperidin-3-yl]oxy-3-propan-2-yloxypropan-2-ol
CID 106940494
3-(cyclohexylmethoxy)pyrrolidine
CID 45075453
methyl 2-[(3R)-piperidin-3-yl]oxyacetate
CID 99909798
N-propan-2-yl-2-(pyrrolidin-3-ylmethoxy)propanamide
CID 62372806
2-cycloheptyl-N-(1-piperidin-3-ylethyl)acetamide
CID 115736930
N-cyclopentyl-2-(2-piperidin-3-ylethoxy)propanamide
CID 62357689
(3S)-3-(2-methylpentoxy)piperidine
CID 66247189

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylmethoxy)-1-piperidin-3-yloxybutan-2-yl]acetamide;ethane?
The IUPAC name of N-[3-(cyclohexylmethoxy)-1-piperidin-3-yloxybutan-2-yl]acetamide;ethane (CID 170758808) is N-[3-(cyclohexylmethoxy)-1-piperidin-3-yloxybutan-2-yl]acetamide;ethane.
What is the SMILES notation for N-[3-(cyclohexylmethoxy)-1-piperidin-3-yloxybutan-2-yl]acetamide;ethane?
The canonical SMILES for N-[3-(cyclohexylmethoxy)-1-piperidin-3-yloxybutan-2-yl]acetamide;ethane is CC.CC(=O)NC(COC1CCCNC1)C(C)OCC1CCCCC1.
What is the InChIKey of N-[3-(cyclohexylmethoxy)-1-piperidin-3-yloxybutan-2-yl]acetamide;ethane?
The InChIKey is SKMHLFIRKUSGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3.C2H6/c1-14(22-12-16-7-4-3-5-8-16)18(20-15(2)21)13-23-17-9-6-10-19-11-17;1-2/h14,16-19H,3-13H2,1-2H3,(H,20,21);1-2H3.
What are the key properties of N-[3-(cyclohexylmethoxy)-1-piperidin-3-yloxybutan-2-yl]acetamide;ethane?
N-[3-(cyclohexylmethoxy)-1-piperidin-3-yloxybutan-2-yl]acetamide;ethane has a molecular weight of 356.55 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylmethoxy)-1-piperidin-3-yloxybutan-2-yl]acetamide;ethane is sourced from PubChem (CID 170758808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).