[4-(3-methoxypropyl)piperazin-1-yl]-(1-propan-2-ylcyclopropyl)methanone

C15H28N2O2 — CID 156820201

IUPAC[4-(3-methoxypropyl)piperazin-1-yl]-(1-propan-2-ylcyclopropyl)methanone
SMILESCOCCCN1CCN(C(=O)C2(C(C)C)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-13(2)15(5-6-15)14(18)17-10-8-16(9-11-17)7-4-12-19-3/h13H,4-12H2,1-3H3
InChIKeyAOPVFDUTAWLGKL-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.60
Rot. Bonds6

About [4-(3-methoxypropyl)piperazin-1-yl]-(1-propan-2-ylcyclopropyl)methanone

[4-(3-methoxypropyl)piperazin-1-yl]-(1-propan-2-ylcyclopropyl)methanone (PubChem CID 156820201) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is [4-(3-methoxypropyl)piperazin-1-yl]-(1-propan-2-ylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(3-methoxypropyl)piperazin-1-yl]-(1-propan-2-ylcyclopropyl)methanone
PubChem CID156820201
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name[4-(3-methoxypropyl)piperazin-1-yl]-(1-propan-2-ylcyclopropyl)methanone
SMILESCOCCCN1CCN(C(=O)C2(C(C)C)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-13(2)15(5-6-15)14(18)17-10-8-16(9-11-17)7-4-12-19-3/h13H,4-12H2,1-3H3
InChIKeyAOPVFDUTAWLGKL-UHFFFAOYSA-N
XLogP1.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-methylpiperazin-1-yl)-(1-propan-2-ylcyclopropyl)methanone
CID 58584463
methyl 4-(3-methoxypropyl)piperazine-1-carboxylate
CID 113073390
1-[4-(6-methoxyhexyl)piperazin-1-yl]-2-methylpropan-1-one
CID 165146296
1-[4-(3-methoxypropyl)piperazin-1-yl]propan-2-one
CID 153411883
1-[4-(3-methoxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113073330
1-(4-methoxybutyl)-4-methylpiperidine-4-carboxylic acid
CID 104648450
8-[4-(3-methoxypropyl)piperazin-1-yl]octan-2-one
CID 171083706
[4-(3-methoxypropyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 113073396
(1,2-dimethylcyclopropyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 163729372
[4-(2-methoxyethyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120640752
methyl 3-[4-(4-methoxybutyl)piperazin-1-yl]propanoate
CID 112691924
10-[4-(3-methoxypropyl)piperazin-1-yl]decan-4-one
CID 169229142

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxypropyl)piperazin-1-yl]-(1-propan-2-ylcyclopropyl)methanone?
The IUPAC name of [4-(3-methoxypropyl)piperazin-1-yl]-(1-propan-2-ylcyclopropyl)methanone (CID 156820201) is [4-(3-methoxypropyl)piperazin-1-yl]-(1-propan-2-ylcyclopropyl)methanone.
What is the SMILES notation for [4-(3-methoxypropyl)piperazin-1-yl]-(1-propan-2-ylcyclopropyl)methanone?
The canonical SMILES for [4-(3-methoxypropyl)piperazin-1-yl]-(1-propan-2-ylcyclopropyl)methanone is COCCCN1CCN(C(=O)C2(C(C)C)CC2)CC1.
What is the InChIKey of [4-(3-methoxypropyl)piperazin-1-yl]-(1-propan-2-ylcyclopropyl)methanone?
The InChIKey is AOPVFDUTAWLGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-13(2)15(5-6-15)14(18)17-10-8-16(9-11-17)7-4-12-19-3/h13H,4-12H2,1-3H3.
What are the key properties of [4-(3-methoxypropyl)piperazin-1-yl]-(1-propan-2-ylcyclopropyl)methanone?
[4-(3-methoxypropyl)piperazin-1-yl]-(1-propan-2-ylcyclopropyl)methanone has a molecular weight of 268.40 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxypropyl)piperazin-1-yl]-(1-propan-2-ylcyclopropyl)methanone is sourced from PubChem (CID 156820201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).