1-(4-aminopiperidin-1-yl)-3-methoxypropan-2-one

C9H18N2O2 — CID 116593221

IUPAC1-(4-aminopiperidin-1-yl)-3-methoxypropan-2-one
SMILESCOCC(=O)CN1CCC(N)CC1
InChIInChI=1S/C9H18N2O2/c1-13-7-9(12)6-11-4-2-8(10)3-5-11/h8H,2-7,10H2,1H3
InChIKeyHBXYULMDTSJLPF-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.38
Rot. Bonds4

About 1-(4-aminopiperidin-1-yl)-3-methoxypropan-2-one

1-(4-aminopiperidin-1-yl)-3-methoxypropan-2-one (PubChem CID 116593221) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-3-methoxypropan-2-one
PubChem CID116593221
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(4-aminopiperidin-1-yl)-3-methoxypropan-2-one
SMILESCOCC(=O)CN1CCC(N)CC1
InChIInChI=1S/C9H18N2O2/c1-13-7-9(12)6-11-4-2-8(10)3-5-11/h8H,2-7,10H2,1H3
InChIKeyHBXYULMDTSJLPF-UHFFFAOYSA-N
XLogP-0.38
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(3-methoxy-2-oxopropyl)piperidin-4-yl]methyl]acetamide
CID 107507575
1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methoxypropan-2-one
CID 107507402
1-(4-aminopiperidin-1-yl)hept-5-yn-2-one
CID 116593394
1-(4-acetylpiperazin-1-yl)-3-methoxypropan-2-one
CID 107507094
1-methoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-one
CID 107507405
ethyl 5-[4-(methoxymethyl)piperidin-1-yl]-4-oxopentanoate
CID 103484490
2-(4-aminopiperidin-1-yl)-N-(1-methoxypropan-2-yl)-N-methylacetamide
CID 79327713
methyl 2-[4-[2-(4-aminopiperidin-1-yl)acetyl]piperazin-1-yl]acetate
CID 79323233
2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 79327489
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide
CID 115738482
1-(3-ethoxypiperidin-1-yl)-3-methoxypropan-2-one
CID 107507197
2-(4-aminopiperidin-1-yl)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724240

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-3-methoxypropan-2-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-3-methoxypropan-2-one (CID 116593221) is 1-(4-aminopiperidin-1-yl)-3-methoxypropan-2-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-3-methoxypropan-2-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-3-methoxypropan-2-one is COCC(=O)CN1CCC(N)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-3-methoxypropan-2-one?
The InChIKey is HBXYULMDTSJLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-13-7-9(12)6-11-4-2-8(10)3-5-11/h8H,2-7,10H2,1H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-3-methoxypropan-2-one?
1-(4-aminopiperidin-1-yl)-3-methoxypropan-2-one has a molecular weight of 186.25 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-3-methoxypropan-2-one is sourced from PubChem (CID 116593221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).