1-[4-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one

C16H29N3O3 — CID 129178233

IUPAC1-[4-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(CN2CCN(C(=O)COC)CC2)CC1
InChIInChI=1S/C16H29N3O3/c1-3-15(20)18-6-4-14(5-7-18)12-17-8-10-19(11-9-17)16(21)13-22-2/h14H,3-13H2,1-2H3
InChIKeyZAJCMDQAHDTFRC-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.43
Rot. Bonds5

About 1-[4-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one

1-[4-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one (PubChem CID 129178233) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[4-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one
PubChem CID129178233
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name1-[4-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(CN2CCN(C(=O)COC)CC2)CC1
InChIInChI=1S/C16H29N3O3/c1-3-15(20)18-6-4-14(5-7-18)12-17-8-10-19(11-9-17)16(21)13-22-2/h14H,3-13H2,1-2H3
InChIKeyZAJCMDQAHDTFRC-UHFFFAOYSA-N
XLogP0.43
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60773954
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride
CID 119645863
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methoxyethanone
CID 60637500
1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-methoxypropan-1-one
CID 167010737
2-methoxy-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone
CID 94794263
1-[4-(aminooxymethyl)piperidin-1-yl]propan-1-one
CID 39237865
1-[4-(2-hydroxybutyl)piperazin-1-yl]-2-methoxyethanone
CID 111105931
[1-(2-methoxyacetyl)piperidin-4-yl]methyl carbamate
CID 175556728
1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methoxyethanone
CID 95606801
1-[4-(2-hydroxypropyl)piperazin-1-yl]-2-methoxyethanone
CID 56802428
1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 22983136
1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one
CID 59468982

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one (CID 129178233) is 1-[4-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(CN2CCN(C(=O)COC)CC2)CC1.
What is the InChIKey of 1-[4-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one?
The InChIKey is ZAJCMDQAHDTFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-3-15(20)18-6-4-14(5-7-18)12-17-8-10-19(11-9-17)16(21)13-22-2/h14H,3-13H2,1-2H3.
What are the key properties of 1-[4-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one?
1-[4-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one has a molecular weight of 311.43 g/mol, XLogP of 0.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 129178233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).