2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone

C16H31N3O2 — CID 111489419

IUPAC2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCCC(CO)N1CCN(CC(=O)N2CCCC(C)C2)CC1
InChIInChI=1S/C16H31N3O2/c1-3-15(13-20)18-9-7-17(8-10-18)12-16(21)19-6-4-5-14(2)11-19/h14-15,20H,3-13H2,1-2H3
InChIKeyQTOXOEAJMIKRCD-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.63
Rot. Bonds5

About 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone

2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 111489419) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID111489419
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCCC(CO)N1CCN(CC(=O)N2CCCC(C)C2)CC1
InChIInChI=1S/C16H31N3O2/c1-3-15(13-20)18-9-7-17(8-10-18)12-16(21)19-6-4-5-14(2)11-19/h14-15,20H,3-13H2,1-2H3
InChIKeyQTOXOEAJMIKRCD-UHFFFAOYSA-N
XLogP0.63
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methylacetamide
CID 111489805
1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 39981031
2-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 95282589
2-[3-(methylamino)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 115300483
2-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 107407870
2-(azocan-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 87012815
2-[1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]acetic acid
CID 62689102
1-(3-methylpiperidin-1-yl)-2-propylsulfanylethanone
CID 87011135
2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 39903910
1-(3-methylpiperidin-1-yl)-2-sulfanylbutan-1-one
CID 126990175
1-(3-ethylpyrrolidin-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 176984404
3-amino-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324601

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone (CID 111489419) is 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone is CCC(CO)N1CCN(CC(=O)N2CCCC(C)C2)CC1.
What is the InChIKey of 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is QTOXOEAJMIKRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-3-15(13-20)18-9-7-17(8-10-18)12-16(21)19-6-4-5-14(2)11-19/h14-15,20H,3-13H2,1-2H3.
What are the key properties of 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone?
2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 297.44 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 111489419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).