1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]-3-piperidin-1-ylpropan-1-one

C20H39N5O2 — CID 3066008

IUPAC1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]-3-piperidin-1-ylpropan-1-one
SMILESCN1CCN(CC(O)CN2CCN(C(=O)CCN3CCCCC3)CC2)CC1
InChIInChI=1S/C20H39N5O2/c1-21-9-11-23(12-10-21)17-19(26)18-24-13-15-25(16-14-24)20(27)5-8-22-6-3-2-4-7-22/h19,26H,2-18H2,1H3
InChIKeyLECADJUFNHOOPJ-UHFFFAOYSA-N
MW381.57 g/mol
LogP-0.39
Rot. Bonds7

About 1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]-3-piperidin-1-ylpropan-1-one

1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]-3-piperidin-1-ylpropan-1-one (PubChem CID 3066008) has the molecular formula C20H39N5O2 and a molecular weight of 381.57 g/mol. Its IUPAC name is 1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]-3-piperidin-1-ylpropan-1-one
PubChem CID3066008
Molecular FormulaC20H39N5O2
Molecular Weight381.57 g/mol
Exact Mass381.31
IUPAC Name1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]-3-piperidin-1-ylpropan-1-one
SMILESCN1CCN(CC(O)CN2CCN(C(=O)CCN3CCCCC3)CC2)CC1
InChIInChI=1S/C20H39N5O2/c1-21-9-11-23(12-10-21)17-19(26)18-24-13-15-25(16-14-24)20(27)5-8-22-6-3-2-4-7-22/h19,26H,2-18H2,1H3
InChIKeyLECADJUFNHOOPJ-UHFFFAOYSA-N
XLogP-0.39
TPSA53.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.57
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]-3-piperidin-1-ylpropan-1-one with MolForge

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Related Compounds

1,3-bis(azepan-1-yl)propan-1-one
CID 109033498
1-[4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-5-pyrrolidin-1-ylpentan-1-one
CID 95332902
3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one
CID 3021273
3-(azocan-1-yl)-1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one
CID 46994863
1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 22120281
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86931018
3-(azocan-1-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one
CID 50958689
1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 110665012
2-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 95388910
methane;nonakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 157103397
1-methyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 54547768

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]-3-piperidin-1-ylpropan-1-one (CID 3066008) is 1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]-3-piperidin-1-ylpropan-1-one is CN1CCN(CC(O)CN2CCN(C(=O)CCN3CCCCC3)CC2)CC1.
What is the InChIKey of 1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]-3-piperidin-1-ylpropan-1-one?
The InChIKey is LECADJUFNHOOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N5O2/c1-21-9-11-23(12-10-21)17-19(26)18-24-13-15-25(16-14-24)20(27)5-8-22-6-3-2-4-7-22/h19,26H,2-18H2,1H3.
What are the key properties of 1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]-3-piperidin-1-ylpropan-1-one?
1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]-3-piperidin-1-ylpropan-1-one has a molecular weight of 381.57 g/mol, XLogP of -0.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 3066008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).