1-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]imidazolidin-2-one

C10H20N4O — CID 104977313

IUPAC1-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]imidazolidin-2-one
SMILESC[C@H]1CN(CCN2CCNC2=O)CCN1
InChIInChI=1S/C10H20N4O/c1-9-8-13(4-2-11-9)6-7-14-5-3-12-10(14)15/h9,11H,2-8H2,1H3,(H,12,15)/t9-/m0/s1
InChIKeyTUVABAKAASXZRZ-VIFPVBQESA-N
MW212.30 g/mol
LogP-0.69
Rot. Bonds3

About 1-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]imidazolidin-2-one

1-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 104977313) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]imidazolidin-2-one
PubChem CID104977313
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name1-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]imidazolidin-2-one
SMILESC[C@H]1CN(CCN2CCNC2=O)CCN1
InChIInChI=1S/C10H20N4O/c1-9-8-13(4-2-11-9)6-7-14-5-3-12-10(14)15/h9,11H,2-8H2,1H3,(H,12,15)/t9-/m0/s1
InChIKeyTUVABAKAASXZRZ-VIFPVBQESA-N
XLogP-0.69
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,5-dimethylpiperazin-1-yl)ethyl]imidazolidin-2-one
CID 63873122
1-(2-piperazin-1-ylethyl)imidazolidin-2-one;dihydrochloride
CID 47002685
3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine
CID 65448835
1-[2-(3-cyclopentylpiperidin-1-yl)ethyl]imidazolidin-2-one
CID 166265531
1-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-methylpiperazine
CID 131010612
1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethyl]imidazolidin-2-one
CID 114799781
1-[2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one
CID 63241391
3-methyl-1-(2-methylsulfonylethyl)piperazine
CID 64833986
2-methyl-4-(3-methylpiperazin-1-yl)butan-2-ol
CID 79355818
1-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]imidazolidin-2-one
CID 55260993
1-[2-[3-[(1R,3S)-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one
CID 139637068
1-[2-(2,5-diethylpiperazin-1-yl)ethyl]imidazolidin-2-one
CID 64978611

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]imidazolidin-2-one (CID 104977313) is 1-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]imidazolidin-2-one is C[C@H]1CN(CCN2CCNC2=O)CCN1.
What is the InChIKey of 1-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is TUVABAKAASXZRZ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N4O/c1-9-8-13(4-2-11-9)6-7-14-5-3-12-10(14)15/h9,11H,2-8H2,1H3,(H,12,15)/t9-/m0/s1.
What are the key properties of 1-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]imidazolidin-2-one?
1-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 212.30 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 104977313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).