(4-methoxypiperidin-4-yl)-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone

C16H31N3O3 — CID 119891706

IUPAC(4-methoxypiperidin-4-yl)-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone
SMILESCOC1(C(=O)N2CCN(CCOC(C)C)CC2)CCNCC1
InChIInChI=1S/C16H31N3O3/c1-14(2)22-13-12-18-8-10-19(11-9-18)15(20)16(21-3)4-6-17-7-5-16/h14,17H,4-13H2,1-3H3
InChIKeyVTKYRXLZXKYOBC-UHFFFAOYSA-N
MW313.44 g/mol
LogP0.32
Rot. Bonds6

About (4-methoxypiperidin-4-yl)-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone

(4-methoxypiperidin-4-yl)-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone (PubChem CID 119891706) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is (4-methoxypiperidin-4-yl)-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxypiperidin-4-yl)-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone
PubChem CID119891706
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC Name(4-methoxypiperidin-4-yl)-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone
SMILESCOC1(C(=O)N2CCN(CCOC(C)C)CC2)CCNCC1
InChIInChI=1S/C16H31N3O3/c1-14(2)22-13-12-18-8-10-19(11-9-18)15(20)16(21-3)4-6-17-7-5-16/h14,17H,4-13H2,1-3H3
InChIKeyVTKYRXLZXKYOBC-UHFFFAOYSA-N
XLogP0.32
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-methoxypiperidin-4-yl)-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119838363
azepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 84702052
1,4-diazepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 113265250
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119876180
[4-(2-methoxyethyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120640752
1-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 119840066
(4-methoxypiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 119675095
2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride
CID 119877454
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119859716
[4-[(dimethylamino)methyl]piperidin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119852056
2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 119876665
2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 119851426

Frequently Asked Questions

What is the IUPAC name of (4-methoxypiperidin-4-yl)-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-methoxypiperidin-4-yl)-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone (CID 119891706) is (4-methoxypiperidin-4-yl)-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxypiperidin-4-yl)-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methoxypiperidin-4-yl)-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone is COC1(C(=O)N2CCN(CCOC(C)C)CC2)CCNCC1.
What is the InChIKey of (4-methoxypiperidin-4-yl)-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone?
The InChIKey is VTKYRXLZXKYOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3/c1-14(2)22-13-12-18-8-10-19(11-9-18)15(20)16(21-3)4-6-17-7-5-16/h14,17H,4-13H2,1-3H3.
What are the key properties of (4-methoxypiperidin-4-yl)-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone?
(4-methoxypiperidin-4-yl)-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone has a molecular weight of 313.44 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-4-yl)-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 119891706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).