(2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide

C22H25N3O3 — CID 126441036

IUPAC(2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
SMILESCOc1cccc(N2CCN(C(=O)NC3Cc4ccccc4C3)[C@@H](C)C2=O)c1
InChIInChI=1S/C22H25N3O3/c1-15-21(26)25(19-8-5-9-20(14-19)28-2)11-10-24(15)22(27)23-18-12-16-6-3-4-7-17(16)13-18/h3-9,14-15,18H,10-13H2,1-2H3,(H,23,27)/t15-/m0/s1
InChIKeyOZMXTSUDZKKIML-HNNXBMFYSA-N
MW379.46 g/mol
LogP2.61
Rot. Bonds3

About (2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide

(2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide (PubChem CID 126441036) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is (2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
PubChem CID126441036
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name(2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
SMILESCOc1cccc(N2CCN(C(=O)NC3Cc4ccccc4C3)[C@@H](C)C2=O)c1
InChIInChI=1S/C22H25N3O3/c1-15-21(26)25(19-8-5-9-20(14-19)28-2)11-10-24(15)22(27)23-18-12-16-6-3-4-7-17(16)13-18/h3-9,14-15,18H,10-13H2,1-2H3,(H,23,27)/t15-/m0/s1
InChIKeyOZMXTSUDZKKIML-HNNXBMFYSA-N
XLogP2.61
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-dimethylpropanoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 24715973
(3R)-4-(2-methoxybenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 93322353
4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 46036252
1-(3-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 24715974
N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 46990759
(2S)-N-[3-(furan-2-yl)propyl]-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 125434982
(3R)-1-(3-methoxyphenyl)-3-methyl-4-[2-(4-methyl-1,4-diazepan-1-yl)acetyl]piperazin-2-one
CID 95130698
4-(3-methoxyphenyl)-2-methyl-3-oxo-N-[3-(triazol-1-yl)propyl]piperazine-1-carboxamide
CID 121499817
1-(3-methoxyphenyl)-3-methyl-4-(4-nitrobenzoyl)piperazin-2-one
CID 46036257
1-(3-methoxyphenyl)-3-methyl-4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-2-one
CID 46995780
N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide
CID 7215206
1-(4-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
CID 71954781

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide (CID 126441036) is (2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide is COc1cccc(N2CCN(C(=O)NC3Cc4ccccc4C3)[C@@H](C)C2=O)c1.
What is the InChIKey of (2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
The InChIKey is OZMXTSUDZKKIML-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15-21(26)25(19-8-5-9-20(14-19)28-2)11-10-24(15)22(27)23-18-12-16-6-3-4-7-17(16)13-18/h3-9,14-15,18H,10-13H2,1-2H3,(H,23,27)/t15-/m0/s1.
What are the key properties of (2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
(2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 126441036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).