1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one

C19H33N3O3 — CID 55608937

IUPAC1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one
SMILESCC1CCCCN1C(=O)CN1CCN(C(=O)CCC2CCCO2)CC1
InChIInChI=1S/C19H33N3O3/c1-16-5-2-3-9-22(16)19(24)15-20-10-12-21(13-11-20)18(23)8-7-17-6-4-14-25-17/h16-17H,2-15H2,1H3
InChIKeyBDPCWJYKIWVDEZ-UHFFFAOYSA-N
MW351.49 g/mol
LogP1.49
Rot. Bonds5

About 1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one

1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one (PubChem CID 55608937) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one
PubChem CID55608937
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC Name1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one
SMILESCC1CCCCN1C(=O)CN1CCN(C(=O)CCC2CCCO2)CC1
InChIInChI=1S/C19H33N3O3/c1-16-5-2-3-9-22(16)19(24)15-20-10-12-21(13-11-20)18(23)8-7-17-6-4-14-25-17/h16-17H,2-15H2,1H3
InChIKeyBDPCWJYKIWVDEZ-UHFFFAOYSA-N
XLogP1.49
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one with MolForge

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Related Compounds

7-amino-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one;dihydrochloride
CID 119851377
2-[(1S,2R)-2-hydroxycyclohexyl]-1-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone
CID 124881787
1-(2-methylpiperazin-1-yl)-3-(oxan-2-yl)propan-1-one
CID 63951169
1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 47026166
1-(2-methylpiperidin-1-yl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]ethanone
CID 119851432
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 119851376
(2R)-2-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide
CID 95637959
1-[(2S)-2-methylpiperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 1439792
1-(4-bromopiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 80661560
3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one
CID 63953500
2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 134001219
1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one
CID 80707454

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one (CID 55608937) is 1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one is CC1CCCCN1C(=O)CN1CCN(C(=O)CCC2CCCO2)CC1.
What is the InChIKey of 1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one?
The InChIKey is BDPCWJYKIWVDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-16-5-2-3-9-22(16)19(24)15-20-10-12-21(13-11-20)18(23)8-7-17-6-4-14-25-17/h16-17H,2-15H2,1H3.
What are the key properties of 1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one?
1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one has a molecular weight of 351.49 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 55608937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).