3-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one

C18H34N2O2 — CID 176577325

IUPAC3-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one
SMILESCC(C)C(=O)CN1CCC(OC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C18H34N2O2/c1-14(2)18(21)13-19-9-5-16(6-10-19)22-17-7-11-20(12-8-17)15(3)4/h14-17H,5-13H2,1-4H3
InChIKeyIAGGDMRCQLPZNV-UHFFFAOYSA-N
MW310.48 g/mol
LogP2.57
Rot. Bonds6

About 3-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one

3-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one (PubChem CID 176577325) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 3-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one.

Molecular Properties

Compound Name3-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one
PubChem CID176577325
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name3-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one
SMILESCC(C)C(=O)CN1CCC(OC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C18H34N2O2/c1-14(2)18(21)13-19-9-5-16(6-10-19)22-17-7-11-20(12-8-17)15(3)4/h14-17H,5-13H2,1-4H3
InChIKeyIAGGDMRCQLPZNV-UHFFFAOYSA-N
XLogP2.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-Methylbutyl)piperidin-4-yl] 3-(4-propan-2-ylpiperazin-1-yl)propanoate
CID 58721623
3-Methyl-1-[9-(2-propan-2-yloxyethyl)-3,9-diazaspiro[5.5]undecan-3-yl]butan-2-one
CID 141687925
1-(2-Methylpropyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine
CID 155405439
3-Methyl-1-piperidin-1-ylbutan-2-one
CID 160735866
1-Propan-2-yl-4-[(4-propan-2-yloxypiperidin-1-yl)methyl]piperidine
CID 167417336
1-(4-Methylpentyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine
CID 170953301
4-Ethoxy-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
CID 171070473
1-[4-(4-Methoxypiperidin-1-yl)piperidin-1-yl]-3-methylbutan-2-one
CID 171557049
3-Methyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one
CID 171799915
3-Methyl-1-[4-[(1-methylpiperidin-4-yl)oxymethyl]piperidin-1-yl]butan-2-one
CID 171800170
1-[4-[4-(Dimethylamino)butan-2-yloxymethyl]piperidin-1-yl]-3-methylbutan-2-one
CID 171800204
3-Methyl-1-[4-[1-(1-sulfanylethyl)piperidin-4-yl]oxypiperidin-1-yl]butan-2-one
CID 171800319

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one?
The IUPAC name of 3-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one (CID 176577325) is 3-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one.
What is the SMILES notation for 3-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one?
The canonical SMILES for 3-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one is CC(C)C(=O)CN1CCC(OC2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 3-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one?
The InChIKey is IAGGDMRCQLPZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-14(2)18(21)13-19-9-5-16(6-10-19)22-17-7-11-20(12-8-17)15(3)4/h14-17H,5-13H2,1-4H3.
What are the key properties of 3-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one?
3-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one has a molecular weight of 310.48 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one is sourced from PubChem (CID 176577325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).