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

C19H34N4O3 — CID 119851426

IUPAC2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCOC1(C(=O)N2CCN(CC(=O)N3CCCCC3C)CC2)CCNCC1
InChIInChI=1S/C19H34N4O3/c1-16-5-3-4-10-23(16)17(24)15-21-11-13-22(14-12-21)18(25)19(26-2)6-8-20-9-7-19/h16,20H,3-15H2,1-2H3
InChIKeyJAZAWMRREIIIQI-UHFFFAOYSA-N
MW366.51 g/mol
LogP0.30
Rot. Bonds4

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

2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 119851426) has the molecular formula C19H34N4O3 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID119851426
Molecular FormulaC19H34N4O3
Molecular Weight366.51 g/mol
Exact Mass366.26
IUPAC Name2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCOC1(C(=O)N2CCN(CC(=O)N3CCCCC3C)CC2)CCNCC1
InChIInChI=1S/C19H34N4O3/c1-16-5-3-4-10-23(16)17(24)15-21-11-13-22(14-12-21)18(25)19(26-2)6-8-20-9-7-19/h16,20H,3-15H2,1-2H3
InChIKeyJAZAWMRREIIIQI-UHFFFAOYSA-N
XLogP0.30
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 119851376
2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
CID 119876809
1-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 119840066
azepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 84702052
2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 119876665
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119859716
(4-methoxypiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 119675095
1-(2-methylpiperidin-1-yl)-2-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone
CID 119851394
ethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate
CID 134055468
1-(2-methylpiperidin-1-yl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]ethanone
CID 119851432
(4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119838363
2-(2-methoxyethylamino)-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 119851436

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone (CID 119851426) is 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone is COC1(C(=O)N2CCN(CC(=O)N3CCCCC3C)CC2)CCNCC1.
What is the InChIKey of 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is JAZAWMRREIIIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O3/c1-16-5-3-4-10-23(16)17(24)15-21-11-13-22(14-12-21)18(25)19(26-2)6-8-20-9-7-19/h16,20H,3-15H2,1-2H3.
What are the key properties of 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 366.51 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 119851426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).