1-[(3R)-3-propylpiperazin-1-yl]ethanone

C9H18N2O — CID 11240732

IUPAC1-[(3R)-3-propylpiperazin-1-yl]ethanone
SMILESCCC[C@@H]1CN(C(C)=O)CCN1
InChIInChI=1S/C9H18N2O/c1-3-4-9-7-11(8(2)12)6-5-10-9/h9-10H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyKAFKFOKKJJDIHD-SECBINFHSA-N
MW170.26 g/mol
LogP0.61
Rot. Bonds2

About 1-[(3R)-3-propylpiperazin-1-yl]ethanone

1-[(3R)-3-propylpiperazin-1-yl]ethanone (PubChem CID 11240732) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-[(3R)-3-propylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-propylpiperazin-1-yl]ethanone
PubChem CID11240732
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-[(3R)-3-propylpiperazin-1-yl]ethanone
SMILESCCC[C@@H]1CN(C(C)=O)CCN1
InChIInChI=1S/C9H18N2O/c1-3-4-9-7-11(8(2)12)6-5-10-9/h9-10H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyKAFKFOKKJJDIHD-SECBINFHSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2,4-Diamino-1-piperidin-1-yl-butan-1-one
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CID 89273612
N-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide
CID 718529
1-Acetyl-N-cyclopropylpiperidin-4-amine
CID 2735241
4-Acetamidopiperidine
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4-Tert-butylcarbonylaminopiperidine
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CID 4169719

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-propylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-propylpiperazin-1-yl]ethanone (CID 11240732) is 1-[(3R)-3-propylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-propylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-propylpiperazin-1-yl]ethanone is CCC[C@@H]1CN(C(C)=O)CCN1.
What is the InChIKey of 1-[(3R)-3-propylpiperazin-1-yl]ethanone?
The InChIKey is KAFKFOKKJJDIHD-SECBINFHSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-4-9-7-11(8(2)12)6-5-10-9/h9-10H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of 1-[(3R)-3-propylpiperazin-1-yl]ethanone?
1-[(3R)-3-propylpiperazin-1-yl]ethanone has a molecular weight of 170.26 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-propylpiperazin-1-yl]ethanone is sourced from PubChem (CID 11240732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).