1-(2-methylpiperidin-1-yl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]ethanone

C17H30N4O3 — CID 119851432

IUPAC1-(2-methylpiperidin-1-yl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC1CCCCN1C(=O)CN1CCN(C(=O)C2CNCCO2)CC1
InChIInChI=1S/C17H30N4O3/c1-14-4-2-3-6-21(14)16(22)13-19-7-9-20(10-8-19)17(23)15-12-18-5-11-24-15/h14-15,18H,2-13H2,1H3
InChIKeyLHVUHMZQTKQZET-UHFFFAOYSA-N
MW338.45 g/mol
LogP-0.48
Rot. Bonds3

About 1-(2-methylpiperidin-1-yl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]ethanone

1-(2-methylpiperidin-1-yl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 119851432) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID119851432
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name1-(2-methylpiperidin-1-yl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC1CCCCN1C(=O)CN1CCN(C(=O)C2CNCCO2)CC1
InChIInChI=1S/C17H30N4O3/c1-14-4-2-3-6-21(14)16(22)13-19-7-9-20(10-8-19)17(23)15-12-18-5-11-24-15/h14-15,18H,2-13H2,1H3
InChIKeyLHVUHMZQTKQZET-UHFFFAOYSA-N
XLogP-0.48
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(morpholine-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone;dihydrochloride
CID 119837297
2-[4-(morpholine-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 119834280
1-(2-methylpiperidin-1-yl)-2-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone
CID 119851394
morpholin-2-yl(piperidin-1-yl)methanone;hydrochloride
CID 71298615
morpholin-2-yl-(4-propyl-1,4-diazepan-1-yl)methanone
CID 131911390
1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 55608937
[4-(2-methoxyethyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119838568
2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 119851426
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 119851376
2-[(1S,2R)-2-hydroxycyclohexyl]-1-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone
CID 124881787
2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 134001219
morpholin-2-yl-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119897545

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(2-methylpiperidin-1-yl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]ethanone (CID 119851432) is 1-(2-methylpiperidin-1-yl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]ethanone is CC1CCCCN1C(=O)CN1CCN(C(=O)C2CNCCO2)CC1.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is LHVUHMZQTKQZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-14-4-2-3-6-21(14)16(22)13-19-7-9-20(10-8-19)17(23)15-12-18-5-11-24-15/h14-15,18H,2-13H2,1H3.
What are the key properties of 1-(2-methylpiperidin-1-yl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]ethanone?
1-(2-methylpiperidin-1-yl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 338.45 g/mol, XLogP of -0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 119851432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).