1-(4-propan-2-ylpiperazin-2-yl)ethanone

C9H18N2O — CID 59646570

IUPAC1-(4-propan-2-ylpiperazin-2-yl)ethanone
SMILESCC(=O)C1CN(C(C)C)CCN1
InChIInChI=1S/C9H18N2O/c1-7(2)11-5-4-10-9(6-11)8(3)12/h7,9-10H,4-6H2,1-3H3
InChIKeyZAQHDKOSKDYGSM-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.26
Rot. Bonds2

About 1-(4-propan-2-ylpiperazin-2-yl)ethanone

1-(4-propan-2-ylpiperazin-2-yl)ethanone (PubChem CID 59646570) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(4-propan-2-ylpiperazin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-propan-2-ylpiperazin-2-yl)ethanone
PubChem CID59646570
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(4-propan-2-ylpiperazin-2-yl)ethanone
SMILESCC(=O)C1CN(C(C)C)CCN1
InChIInChI=1S/C9H18N2O/c1-7(2)11-5-4-10-9(6-11)8(3)12/h7,9-10H,4-6H2,1-3H3
InChIKeyZAQHDKOSKDYGSM-UHFFFAOYSA-N
XLogP0.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-pentan-3-ylpiperazine-2-carboxylic acid
CID 112709856
[4-(4-fluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone
CID 59845995
3-iodo-1-propan-2-ylpiperazine
CID 140575626
2-[(3S)-3-methylpiperazin-1-yl]propanamide
CID 104976739
[(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 59846079
[4-(3,4-difluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone;ethane
CID 143491994
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-2-yl)methanone
CID 72577389
N-(1-propan-2-ylazetidin-3-yl)azetidine-2-carboxamide
CID 131007923
methyl 3-[(3R)-3-methylpiperazin-1-yl]butanoate
CID 104975207
4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid
CID 71633476
[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone
CID 141317152
(1-propan-2-ylazetidin-3-yl) (2S)-pyrrolidine-2-carboxylate
CID 58029632

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylpiperazin-2-yl)ethanone?
The IUPAC name of 1-(4-propan-2-ylpiperazin-2-yl)ethanone (CID 59646570) is 1-(4-propan-2-ylpiperazin-2-yl)ethanone.
What is the SMILES notation for 1-(4-propan-2-ylpiperazin-2-yl)ethanone?
The canonical SMILES for 1-(4-propan-2-ylpiperazin-2-yl)ethanone is CC(=O)C1CN(C(C)C)CCN1.
What is the InChIKey of 1-(4-propan-2-ylpiperazin-2-yl)ethanone?
The InChIKey is ZAQHDKOSKDYGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)11-5-4-10-9(6-11)8(3)12/h7,9-10H,4-6H2,1-3H3.
What are the key properties of 1-(4-propan-2-ylpiperazin-2-yl)ethanone?
1-(4-propan-2-ylpiperazin-2-yl)ethanone has a molecular weight of 170.26 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylpiperazin-2-yl)ethanone is sourced from PubChem (CID 59646570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).