1-[4-[2-(1-acetylpiperidin-4-yl)ethyl]piperidin-1-yl]-3-methylbutan-2-one

C19H34N2O2 — CID 172604645

IUPAC1-[4-[2-(1-acetylpiperidin-4-yl)ethyl]piperidin-1-yl]-3-methylbutan-2-one
SMILESCC(=O)N1CCC(CCC2CCN(CC(=O)C(C)C)CC2)CC1
InChIInChI=1S/C19H34N2O2/c1-15(2)19(23)14-20-10-6-17(7-11-20)4-5-18-8-12-21(13-9-18)16(3)22/h15,17-18H,4-14H2,1-3H3
InChIKeyUEHMRYIDFNRHKK-UHFFFAOYSA-N
MW322.49 g/mol
LogP2.96
Rot. Bonds6

About 1-[4-[2-(1-acetylpiperidin-4-yl)ethyl]piperidin-1-yl]-3-methylbutan-2-one

1-[4-[2-(1-acetylpiperidin-4-yl)ethyl]piperidin-1-yl]-3-methylbutan-2-one (PubChem CID 172604645) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 1-[4-[2-(1-acetylpiperidin-4-yl)ethyl]piperidin-1-yl]-3-methylbutan-2-one.

Molecular Properties

Compound Name1-[4-[2-(1-acetylpiperidin-4-yl)ethyl]piperidin-1-yl]-3-methylbutan-2-one
PubChem CID172604645
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name1-[4-[2-(1-acetylpiperidin-4-yl)ethyl]piperidin-1-yl]-3-methylbutan-2-one
SMILESCC(=O)N1CCC(CCC2CCN(CC(=O)C(C)C)CC2)CC1
InChIInChI=1S/C19H34N2O2/c1-15(2)19(23)14-20-10-6-17(7-11-20)4-5-18-8-12-21(13-9-18)16(3)22/h15,17-18H,4-14H2,1-3H3
InChIKeyUEHMRYIDFNRHKK-UHFFFAOYSA-N
XLogP2.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-{4-[3-(1-Acetyl-piperidin-4-YL)-propyl]-piperidin-1-YL}-ethanone
CID 20752246
1-{4-[2-(1-Methyl-piperidin-4-yl)-ethyl]-piperidin-1-yl}-pentadecan-1-one; hydrochloride
CID 11576427
1-[10-[4-(diethylcarbamoyl)piperidin-1-yl]decyl]-N,N-diethylpiperidine-4-carboxamide
CID 20208768
4-[4-[3-[1-(3-Oxobutyl)piperidin-4-yl]propyl]piperidin-1-yl]butan-2-one
CID 59793355
2-Methyl-1-[3-[2-(1-propanoylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one
CID 68632738
1-[3-[2-[1-(Cyclopropanecarbonyl)piperidin-3-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one
CID 68633970
1-[4-[[1-(2-Oxobutyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one
CID 90441072
1-[4-[3-[1-[3-[3-(Dimethylamino)propyl-methylamino]propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]butan-1-one
CID 90441080
1-[4-[(1-Propanoylpiperidin-4-yl)methyl]piperidin-1-yl]propan-1-one
CID 90442246
1-[3-[2-(1-Acetylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one
CID 91567205
3-[[1-(4-Methylpentanoyl)piperidin-3-yl]methyl]-1-(4-methylpiperidin-1-yl)pentan-1-one
CID 126625131
1-(4-Ethylpiperidin-1-yl)-5-(1-propanoylpiperidin-3-yl)hexan-1-one
CID 130328606

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(1-acetylpiperidin-4-yl)ethyl]piperidin-1-yl]-3-methylbutan-2-one?
The IUPAC name of 1-[4-[2-(1-acetylpiperidin-4-yl)ethyl]piperidin-1-yl]-3-methylbutan-2-one (CID 172604645) is 1-[4-[2-(1-acetylpiperidin-4-yl)ethyl]piperidin-1-yl]-3-methylbutan-2-one.
What is the SMILES notation for 1-[4-[2-(1-acetylpiperidin-4-yl)ethyl]piperidin-1-yl]-3-methylbutan-2-one?
The canonical SMILES for 1-[4-[2-(1-acetylpiperidin-4-yl)ethyl]piperidin-1-yl]-3-methylbutan-2-one is CC(=O)N1CCC(CCC2CCN(CC(=O)C(C)C)CC2)CC1.
What is the InChIKey of 1-[4-[2-(1-acetylpiperidin-4-yl)ethyl]piperidin-1-yl]-3-methylbutan-2-one?
The InChIKey is UEHMRYIDFNRHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-15(2)19(23)14-20-10-6-17(7-11-20)4-5-18-8-12-21(13-9-18)16(3)22/h15,17-18H,4-14H2,1-3H3.
What are the key properties of 1-[4-[2-(1-acetylpiperidin-4-yl)ethyl]piperidin-1-yl]-3-methylbutan-2-one?
1-[4-[2-(1-acetylpiperidin-4-yl)ethyl]piperidin-1-yl]-3-methylbutan-2-one has a molecular weight of 322.49 g/mol, XLogP of 2.96, 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-acetylpiperidin-4-yl)ethyl]piperidin-1-yl]-3-methylbutan-2-one is sourced from PubChem (CID 172604645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).