4-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]piperazin-2-one

C10H19N5O — CID 120972059

IUPAC4-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]piperazin-2-one
SMILESCC1CN=C(NCCN2CCNC(=O)C2)N1
InChIInChI=1S/C10H19N5O/c1-8-6-13-10(14-8)12-3-5-15-4-2-11-9(16)7-15/h8H,2-7H2,1H3,(H,11,16)(H2,12,13,14)
InChIKeyRFGUQEBTVGFEMN-UHFFFAOYSA-N
MW225.30 g/mol
LogP-1.64
Rot. Bonds3

About 4-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]piperazin-2-one

4-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]piperazin-2-one (PubChem CID 120972059) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 4-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]piperazin-2-one
PubChem CID120972059
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name4-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]piperazin-2-one
SMILESCC1CN=C(NCCN2CCNC(=O)C2)N1
InChIInChI=1S/C10H19N5O/c1-8-6-13-10(14-8)12-3-5-15-4-2-11-9(16)7-15/h8H,2-7H2,1H3,(H,11,16)(H2,12,13,14)
InChIKeyRFGUQEBTVGFEMN-UHFFFAOYSA-N
XLogP-1.64
TPSA68.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(methylamino)ethyl]piperazin-2-one
CID 20607207
N-[2-(3-oxopiperazin-1-yl)ethyl]formamide
CID 87676983
2-methyl-N-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]propanamide
CID 120969175
4-(5,5-dimethylhexyl)piperazin-2-one
CID 21304858
4-[2-(tert-butylamino)ethyl]-1,4-diazepan-2-one
CID 107446484
N-[2-(cyclopropylmethylsulfonyl)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 120971702
4-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]propyl]piperazin-2-one
CID 134707718
4-(4-amino-3,3-dimethylbutyl)piperazin-2-one
CID 65249710
4-[2-(ethylamino)ethyl]-1,4-diazepan-2-one
CID 65360908
bis(6-methyl-4-(2-methylpropyl)piperazin-2-one);4-(2-methylpropyl)piperazin-2-one
CID 171515285
N-[2-(3-oxopiperazin-1-yl)ethyl]tetradecanamide
CID 71345985
N-[2-(4-methylpiperidin-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110915612

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]piperazin-2-one?
The IUPAC name of 4-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]piperazin-2-one (CID 120972059) is 4-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]piperazin-2-one.
What is the SMILES notation for 4-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]piperazin-2-one?
The canonical SMILES for 4-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]piperazin-2-one is CC1CN=C(NCCN2CCNC(=O)C2)N1.
What is the InChIKey of 4-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]piperazin-2-one?
The InChIKey is RFGUQEBTVGFEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-8-6-13-10(14-8)12-3-5-15-4-2-11-9(16)7-15/h8H,2-7H2,1H3,(H,11,16)(H2,12,13,14).
What are the key properties of 4-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]piperazin-2-one?
4-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]piperazin-2-one has a molecular weight of 225.30 g/mol, XLogP of -1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]piperazin-2-one is sourced from PubChem (CID 120972059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).