1-[4-[2-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]ethoxymethyl]piperidin-1-yl]ethanone

C23H40N2O3 — CID 174195342

IUPAC1-[4-[2-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]ethoxymethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(COCCC2CCN(C(=O)C3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C23H40N2O3/c1-18-3-5-22(6-4-18)23(27)25-14-7-20(8-15-25)11-16-28-17-21-9-12-24(13-10-21)19(2)26/h18,20-22H,3-17H2,1-2H3
InChIKeyFNSKAKSVFDVSAC-UHFFFAOYSA-N
MW392.58 g/mol
LogP3.72
Rot. Bonds6

About 1-[4-[2-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]ethoxymethyl]piperidin-1-yl]ethanone

1-[4-[2-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]ethoxymethyl]piperidin-1-yl]ethanone (PubChem CID 174195342) has the molecular formula C23H40N2O3 and a molecular weight of 392.58 g/mol. Its IUPAC name is 1-[4-[2-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]ethoxymethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]ethoxymethyl]piperidin-1-yl]ethanone
PubChem CID174195342
Molecular FormulaC23H40N2O3
Molecular Weight392.58 g/mol
Exact Mass392.30
IUPAC Name1-[4-[2-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]ethoxymethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(COCCC2CCN(C(=O)C3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C23H40N2O3/c1-18-3-5-22(6-4-18)23(27)25-14-7-20(8-15-25)11-16-28-17-21-9-12-24(13-10-21)19(2)26/h18,20-22H,3-17H2,1-2H3
InChIKeyFNSKAKSVFDVSAC-UHFFFAOYSA-N
XLogP3.72
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.58
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-[2-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]ethoxymethyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

[4-(aminomethyl)piperidin-1-yl]-(4-methylcyclohexyl)methanone
CID 81468169
[4-(2-methoxyethyl)piperidin-1-yl]-(3-methylcyclobutyl)methanone
CID 156719806
1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
CID 148686570
1-[4-[4-(ethoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 131909918
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(4-methylcyclohexyl)methanone
CID 115775330
cyclopropyl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200495
cyclopropyl-(4-propylazepan-1-yl)methanone
CID 49008153
tert-butyl N-[2-[(1-acetylpiperidin-4-yl)methoxy]ethyl]carbamate
CID 176845406
1-(cyclopropanecarbonyl)-N-[3-(cyclopropylmethoxy)propyl]piperidine-4-carboxamide
CID 46419524
[4-(aminomethyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 55115030
[4-[(tert-butylamino)methyl]piperidin-1-yl]-cyclopropylmethanone
CID 134166280

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]ethoxymethyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]ethoxymethyl]piperidin-1-yl]ethanone (CID 174195342) is 1-[4-[2-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]ethoxymethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]ethoxymethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]ethoxymethyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(COCCC2CCN(C(=O)C3CCC(C)CC3)CC2)CC1.
What is the InChIKey of 1-[4-[2-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]ethoxymethyl]piperidin-1-yl]ethanone?
The InChIKey is FNSKAKSVFDVSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O3/c1-18-3-5-22(6-4-18)23(27)25-14-7-20(8-15-25)11-16-28-17-21-9-12-24(13-10-21)19(2)26/h18,20-22H,3-17H2,1-2H3.
What are the key properties of 1-[4-[2-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]ethoxymethyl]piperidin-1-yl]ethanone?
1-[4-[2-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]ethoxymethyl]piperidin-1-yl]ethanone has a molecular weight of 392.58 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]ethoxymethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 174195342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).