5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione

C16H27N5O3 — CID 120982053

IUPAC5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCC1(C2CCN(CCC(=O)N3CCNCC3)CC2)NC(=O)NC1=O
InChIInChI=1S/C16H27N5O3/c1-16(14(23)18-15(24)19-16)12-2-7-20(8-3-12)9-4-13(22)21-10-5-17-6-11-21/h12,17H,2-11H2,1H3,(H2,18,19,23,24)
InChIKeyIMWKAYFNNPBWDI-UHFFFAOYSA-N
MW337.42 g/mol
LogP-0.88
Rot. Bonds4

About 5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione

5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 120982053) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID120982053
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Name5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCC1(C2CCN(CCC(=O)N3CCNCC3)CC2)NC(=O)NC1=O
InChIInChI=1S/C16H27N5O3/c1-16(14(23)18-15(24)19-16)12-2-7-20(8-3-12)9-4-13(22)21-10-5-17-6-11-21/h12,17H,2-11H2,1H3,(H2,18,19,23,24)
InChIKeyIMWKAYFNNPBWDI-UHFFFAOYSA-N
XLogP-0.88
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-1-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 138033204
(5R)-5-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 124843308
5-methyl-5-[1-[3-(5-phenylfuran-2-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 91643956
3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-piperazin-1-ylpropan-1-one
CID 120981963
3-[4-(diethylaminomethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982442
3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981207
5-methyl-5-[1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45248339
3-[4-(methoxymethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981559
5-[1-[2-(2-ethylcyclohexyl)oxyacetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 127888669
3-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982532
3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 62543259
3-(4-ethyl-4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981416

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 120982053) is 5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione is CC1(C2CCN(CCC(=O)N3CCNCC3)CC2)NC(=O)NC1=O.
What is the InChIKey of 5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is IMWKAYFNNPBWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-16(14(23)18-15(24)19-16)12-2-7-20(8-3-12)9-4-13(22)21-10-5-17-6-11-21/h12,17H,2-11H2,1H3,(H2,18,19,23,24).
What are the key properties of 5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione?
5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 337.42 g/mol, XLogP of -0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 120982053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).