(2R)-N-tert-butyl-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide

C18H27N3O2 — CID 93114427

IUPAC(2R)-N-tert-butyl-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)NC(C)(C)C)[C@H](C)C2=O)c1C
InChIInChI=1S/C18H27N3O2/c1-12-8-7-9-15(13(12)2)21-11-10-20(14(3)16(21)22)17(23)19-18(4,5)6/h7-9,14H,10-11H2,1-6H3,(H,19,23)/t14-/m1/s1
InChIKeyNMELHJKBQMDBGC-CQSZACIVSA-N
MW317.43 g/mol
LogP2.85
Rot. Bonds1

About (2R)-N-tert-butyl-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide

(2R)-N-tert-butyl-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide (PubChem CID 93114427) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2R)-N-tert-butyl-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
PubChem CID93114427
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(2R)-N-tert-butyl-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)NC(C)(C)C)[C@H](C)C2=O)c1C
InChIInChI=1S/C18H27N3O2/c1-12-8-7-9-15(13(12)2)21-11-10-20(14(3)16(21)22)17(23)19-18(4,5)6/h7-9,14H,10-11H2,1-6H3,(H,19,23)/t14-/m1/s1
InChIKeyNMELHJKBQMDBGC-CQSZACIVSA-N
XLogP2.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-4-(2-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 24716736
(3S)-1-(2,3-dimethylphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
CID 93323237
(2R)-N-(3-chlorophenyl)-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 93114804
1-(2,3-dimethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 24716226
1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 24718943
(3S)-1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292626
3-methyl-1-(2-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one
CID 24715884
4-(2-methoxyacetyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 24716597
(3S)-4-(2-chlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 93321800
(3S)-1-(3-chloro-2-methylphenyl)-3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one
CID 93321267
(3S)-1-(3-chloro-2-methylphenyl)-4-(2-fluorobenzoyl)-3-methylpiperazin-2-one
CID 93321596
4-(2-chlorophenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 42847459

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2R)-N-tert-butyl-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide (CID 93114427) is (2R)-N-tert-butyl-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2R)-N-tert-butyl-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2R)-N-tert-butyl-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide is Cc1cccc(N2CCN(C(=O)NC(C)(C)C)[C@H](C)C2=O)c1C.
What is the InChIKey of (2R)-N-tert-butyl-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
The InChIKey is NMELHJKBQMDBGC-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-12-8-7-9-15(13(12)2)21-11-10-20(14(3)16(21)22)17(23)19-18(4,5)6/h7-9,14H,10-11H2,1-6H3,(H,19,23)/t14-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
(2R)-N-tert-butyl-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 93114427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).