1-(4-methylpiperazin-1-yl)-3-piperidin-4-yloxypropan-1-one

C13H25N3O2 — CID 55251851

IUPAC1-(4-methylpiperazin-1-yl)-3-piperidin-4-yloxypropan-1-one
SMILESCN1CCN(C(=O)CCOC2CCNCC2)CC1
InChIInChI=1S/C13H25N3O2/c1-15-7-9-16(10-8-15)13(17)4-11-18-12-2-5-14-6-3-12/h12,14H,2-11H2,1H3
InChIKeyDETIJMBDIJEOCL-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.08
Rot. Bonds4

About 1-(4-methylpiperazin-1-yl)-3-piperidin-4-yloxypropan-1-one

1-(4-methylpiperazin-1-yl)-3-piperidin-4-yloxypropan-1-one (PubChem CID 55251851) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-3-piperidin-4-yloxypropan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3-piperidin-4-yloxypropan-1-one
PubChem CID55251851
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-(4-methylpiperazin-1-yl)-3-piperidin-4-yloxypropan-1-one
SMILESCN1CCN(C(=O)CCOC2CCNCC2)CC1
InChIInChI=1S/C13H25N3O2/c1-15-7-9-16(10-8-15)13(17)4-11-18-12-2-5-14-6-3-12/h12,14H,2-11H2,1H3
InChIKeyDETIJMBDIJEOCL-UHFFFAOYSA-N
XLogP-0.08
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylpiperazin-1-yl)-3-piperidin-4-yloxypropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azepan-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 55251949
1-(4-methylazepan-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 63904324
3-piperidin-4-yloxy-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115905128
N-(1-methylpiperidin-4-yl)-3-piperidin-4-yloxypropanamide
CID 55251133
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-piperidin-4-yloxypropan-1-one
CID 63875294
3-[4-(2-methoxyethoxy)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981635
1-(2-cyclopentylpyrrolidin-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 63902985
1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 22120281
N-ethyl-4-(2-piperidin-4-yloxyacetyl)piperazine-1-carboxamide
CID 63876904
3-methyl-4-(3-piperidin-4-yloxypropanoyl)piperazin-2-one
CID 55251248
4-(3-piperidin-4-yloxypropanoyl)morpholine-2-carbonitrile
CID 79674139
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-piperidin-4-yloxypropan-1-one
CID 63905461

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-3-piperidin-4-yloxypropan-1-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-3-piperidin-4-yloxypropan-1-one (CID 55251851) is 1-(4-methylpiperazin-1-yl)-3-piperidin-4-yloxypropan-1-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-3-piperidin-4-yloxypropan-1-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-3-piperidin-4-yloxypropan-1-one is CN1CCN(C(=O)CCOC2CCNCC2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-3-piperidin-4-yloxypropan-1-one?
The InChIKey is DETIJMBDIJEOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-15-7-9-16(10-8-15)13(17)4-11-18-12-2-5-14-6-3-12/h12,14H,2-11H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-3-piperidin-4-yloxypropan-1-one?
1-(4-methylpiperazin-1-yl)-3-piperidin-4-yloxypropan-1-one has a molecular weight of 255.36 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-3-piperidin-4-yloxypropan-1-one is sourced from PubChem (CID 55251851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).