3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one

C19H34N4O2 — CID 3021273

IUPAC3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCN1CCCCC1)N1CCN(C(=O)CN2CCCCC2)CC1
InChIInChI=1S/C19H34N4O2/c24-18(7-12-20-8-3-1-4-9-20)22-13-15-23(16-14-22)19(25)17-21-10-5-2-6-11-21/h1-17H2
InChIKeyZIIMOCFMYWGWRQ-UHFFFAOYSA-N
MW350.51 g/mol
LogP1.02
Rot. Bonds5

About 3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one

3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one (PubChem CID 3021273) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one
PubChem CID3021273
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC Name3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCN1CCCCC1)N1CCN(C(=O)CN2CCCCC2)CC1
InChIInChI=1S/C19H34N4O2/c24-18(7-12-20-8-3-1-4-9-20)22-13-15-23(16-14-22)19(25)17-21-10-5-2-6-11-21/h1-17H2
InChIKeyZIIMOCFMYWGWRQ-UHFFFAOYSA-N
XLogP1.02
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-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

1,3-bis(azepan-1-yl)propan-1-one
CID 109033498
oxalic acid;2-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]ethanone
CID 171669466
3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 71318447
3-(azocan-1-yl)-1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one
CID 46994863
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 130618835
1-(azepan-1-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 60645190
2-amino-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone
CID 119876027
1-piperazin-1-yl-2-pyrrolidin-1-ylethanone
CID 13057079
1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 3066008
2-(azepan-1-yl)-1-[4-(2-propoxyethyl)piperazin-1-yl]ethanone
CID 131910093
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 110665012

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one (CID 3021273) is 3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one is O=C(CCN1CCCCC1)N1CCN(C(=O)CN2CCCCC2)CC1.
What is the InChIKey of 3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one?
The InChIKey is ZIIMOCFMYWGWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2/c24-18(7-12-20-8-3-1-4-9-20)22-13-15-23(16-14-22)19(25)17-21-10-5-2-6-11-21/h1-17H2.
What are the key properties of 3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one?
3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one has a molecular weight of 350.51 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 3021273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).