1-(cyclopropylmethyl)-3-ethyl-6-methyl-6-phenylpiperazine-2,5-dione

C17H22N2O2 — CID 64902260

IUPAC1-(cyclopropylmethyl)-3-ethyl-6-methyl-6-phenylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(c2ccccc2)N(CC2CC2)C1=O
InChIInChI=1S/C17H22N2O2/c1-3-14-15(20)19(11-12-9-10-12)17(2,16(21)18-14)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,18,21)
InChIKeyHNTNMMJYFIUHTB-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.05
Rot. Bonds4

About 1-(cyclopropylmethyl)-3-ethyl-6-methyl-6-phenylpiperazine-2,5-dione

1-(cyclopropylmethyl)-3-ethyl-6-methyl-6-phenylpiperazine-2,5-dione (PubChem CID 64902260) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-ethyl-6-methyl-6-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-ethyl-6-methyl-6-phenylpiperazine-2,5-dione
PubChem CID64902260
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(cyclopropylmethyl)-3-ethyl-6-methyl-6-phenylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(c2ccccc2)N(CC2CC2)C1=O
InChIInChI=1S/C17H22N2O2/c1-3-14-15(20)19(11-12-9-10-12)17(2,16(21)18-14)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,18,21)
InChIKeyHNTNMMJYFIUHTB-UHFFFAOYSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Cyclo(-Gly-Phe)
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N-[(3R,6S,9S,12R)-9-[3-(diaminomethylideneamino)propyl]-6-ethyl-12-methyl-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetrazacyclohexadec-12-yl]-2-methylpropanamide
CID 71586081
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CID 3082491
N-(2,2,6,6-Tetramethyl-piperidin-4-yl)-benzamide
CID 775004
N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide
CID 2211217
Azd-5213
CID 53342708
(S)-N-tert-butyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
CID 688344
(5S)-3-Benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 40633600
1-Benzyl-4-(propylamino)piperidine-4-carboxamide
CID 70574

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-ethyl-6-methyl-6-phenylpiperazine-2,5-dione?
The IUPAC name of 1-(cyclopropylmethyl)-3-ethyl-6-methyl-6-phenylpiperazine-2,5-dione (CID 64902260) is 1-(cyclopropylmethyl)-3-ethyl-6-methyl-6-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-ethyl-6-methyl-6-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-(cyclopropylmethyl)-3-ethyl-6-methyl-6-phenylpiperazine-2,5-dione is CCC1NC(=O)C(C)(c2ccccc2)N(CC2CC2)C1=O.
What is the InChIKey of 1-(cyclopropylmethyl)-3-ethyl-6-methyl-6-phenylpiperazine-2,5-dione?
The InChIKey is HNTNMMJYFIUHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-14-15(20)19(11-12-9-10-12)17(2,16(21)18-14)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,18,21).
What are the key properties of 1-(cyclopropylmethyl)-3-ethyl-6-methyl-6-phenylpiperazine-2,5-dione?
1-(cyclopropylmethyl)-3-ethyl-6-methyl-6-phenylpiperazine-2,5-dione has a molecular weight of 286.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-ethyl-6-methyl-6-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64902260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).