1-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one

C18H34N2O2 — CID 91916307

IUPAC1-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(OC2CCN(CCC(C)C)CC2)CC1
InChIInChI=1S/C18H34N2O2/c1-4-18(21)20-13-8-17(9-14-20)22-16-6-11-19(12-7-16)10-5-15(2)3/h15-17H,4-14H2,1-3H3
InChIKeyIUJNPTAFIPXMBM-UHFFFAOYSA-N
MW310.48 g/mol
LogP2.91
Rot. Bonds6

About 1-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one

1-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one (PubChem CID 91916307) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 1-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
PubChem CID91916307
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name1-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(OC2CCN(CCC(C)C)CC2)CC1
InChIInChI=1S/C18H34N2O2/c1-4-18(21)20-13-8-17(9-14-20)22-16-6-11-19(12-7-16)10-5-15(2)3/h15-17H,4-14H2,1-3H3
InChIKeyIUJNPTAFIPXMBM-UHFFFAOYSA-N
XLogP2.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxypiperidin-1-yl)propan-1-one
CID 53016317
1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine
CID 165372771
1-[4-(3-methylbutyl)piperidin-1-yl]propan-1-one
CID 166753074
1-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]propan-1-one
CID 169188679
ethane;4-methoxy-1-(3-methylbutyl)piperidine
CID 155574416
[1-(3-methylbutyl)pyrrolidin-3-yl] carbamate
CID 174922381
1-(4-butoxypiperidin-1-yl)propan-1-one
CID 156794583
2-chloro-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 60808366
1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one
CID 60775999
N-ethyl-1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 157028642
1-[4-(1-bromoethyl)piperidin-1-yl]propan-1-one
CID 106839427
1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one
CID 176582083

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one (CID 91916307) is 1-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one is CCC(=O)N1CCC(OC2CCN(CCC(C)C)CC2)CC1.
What is the InChIKey of 1-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one?
The InChIKey is IUJNPTAFIPXMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-4-18(21)20-13-8-17(9-14-20)22-16-6-11-19(12-7-16)10-5-15(2)3/h15-17H,4-14H2,1-3H3.
What are the key properties of 1-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one?
1-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one has a molecular weight of 310.48 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one is sourced from PubChem (CID 91916307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).