1-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone

C17H30N4O4 — CID 119840066

IUPAC1-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCOC1(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCNCC1
InChIInChI=1S/C17H30N4O4/c1-24-17(2-4-18-5-3-17)16(23)21-8-6-20(7-9-21)15(22)14-19-10-12-25-13-11-19/h18H,2-14H2,1H3
InChIKeyPATQWBUCNCMQOW-UHFFFAOYSA-N
MW354.45 g/mol
LogP-1.24
Rot. Bonds4

About 1-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone

1-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 119840066) has the molecular formula C17H30N4O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID119840066
Molecular FormulaC17H30N4O4
Molecular Weight354.45 g/mol
Exact Mass354.23
IUPAC Name1-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCOC1(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCNCC1
InChIInChI=1S/C17H30N4O4/c1-24-17(2-4-18-5-3-17)16(23)21-8-6-20(7-9-21)15(22)14-19-10-12-25-13-11-19/h18H,2-14H2,1H3
InChIKeyPATQWBUCNCMQOW-UHFFFAOYSA-N
XLogP-1.24
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 119851426
azepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 84702052
(4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119838363
1,4-diazepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 113265250
(4-methoxypiperidin-4-yl)-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 119899611
N-(2,6-dimethylphenyl)-2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]acetamide
CID 119833406
2-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 120640227
(4-methoxypiperidin-4-yl)-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone
CID 119891706
2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 119876665
(4-methoxypiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 119675095
2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;dihydrochloride
CID 119838834
[4-[(dimethylamino)methyl]piperidin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119852056

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone (CID 119840066) is 1-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone is COC1(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCNCC1.
What is the InChIKey of 1-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is PATQWBUCNCMQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O4/c1-24-17(2-4-18-5-3-17)16(23)21-8-6-20(7-9-21)15(22)14-19-10-12-25-13-11-19/h18H,2-14H2,1H3.
What are the key properties of 1-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
1-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 354.45 g/mol, XLogP of -1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 119840066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).