[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone

C15H29N3O2 — CID 120640402

IUPAC[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
SMILESCCC(CO)N1CCN(C(=O)[C@H]2CCN[C@@H](C)C2)CC1
InChIInChI=1S/C15H29N3O2/c1-3-14(11-19)17-6-8-18(9-7-17)15(20)13-4-5-16-12(2)10-13/h12-14,16,19H,3-11H2,1-2H3/t12-,13-,14?/m0/s1
InChIKeyJJYGAUMHTZDQPF-RFHHWMCGSA-N
MW283.42 g/mol
LogP0.29
Rot. Bonds4

About [4-(1-hydroxybutan-2-yl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone

[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone (PubChem CID 120640402) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is [4-(1-hydroxybutan-2-yl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
PubChem CID120640402
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
SMILESCCC(CO)N1CCN(C(=O)[C@H]2CCN[C@@H](C)C2)CC1
InChIInChI=1S/C15H29N3O2/c1-3-14(11-19)17-6-8-18(9-7-17)15(20)13-4-5-16-12(2)10-13/h12-14,16,19H,3-11H2,1-2H3/t12-,13-,14?/m0/s1
InChIKeyJJYGAUMHTZDQPF-RFHHWMCGSA-N
XLogP0.29
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-(1-hydroxybutan-2-yl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone with MolForge

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Related Compounds

azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508
2-(diethylamino)-1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 120635729
[(2S,4S)-2-methylpiperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 120620099
N,N-diethyl-2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]acetamide
CID 120631697
[(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 120625537
2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 120631513
1-(3,5-dimethylpiperidin-1-yl)-2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 120631687
(2-methylpiperidin-4-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 106740610
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 120617558
[(2S,4S)-2-methylpiperidin-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone
CID 120636089
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone
CID 120637071
[(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106832199

Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxybutan-2-yl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The IUPAC name of [4-(1-hydroxybutan-2-yl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone (CID 120640402) is [4-(1-hydroxybutan-2-yl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone.
What is the SMILES notation for [4-(1-hydroxybutan-2-yl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The canonical SMILES for [4-(1-hydroxybutan-2-yl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone is CCC(CO)N1CCN(C(=O)[C@H]2CCN[C@@H](C)C2)CC1.
What is the InChIKey of [4-(1-hydroxybutan-2-yl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The InChIKey is JJYGAUMHTZDQPF-RFHHWMCGSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-3-14(11-19)17-6-8-18(9-7-17)15(20)13-4-5-16-12(2)10-13/h12-14,16,19H,3-11H2,1-2H3/t12-,13-,14?/m0/s1.
What are the key properties of [4-(1-hydroxybutan-2-yl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone has a molecular weight of 283.42 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxybutan-2-yl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone is sourced from PubChem (CID 120640402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).