[4-(4-benzylpiperazine-1-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidin-3-yl]-cyclopropylmethanone

C23H33N3O2S — CID 42748148

IUPAC[4-(4-benzylpiperazine-1-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidin-3-yl]-cyclopropylmethanone
SMILESCC(C)CC1SCC(C(=O)N2CCN(Cc3ccccc3)CC2)N1C(=O)C1CC1
InChIInChI=1S/C23H33N3O2S/c1-17(2)14-21-26(22(27)19-8-9-19)20(16-29-21)23(28)25-12-10-24(11-13-25)15-18-6-4-3-5-7-18/h3-7,17,19-21H,8-16H2,1-2H3
InChIKeyAAJHHBYOTCPIQX-UHFFFAOYSA-N
MW415.60 g/mol
LogP3.06
Rot. Bonds6

About [4-(4-benzylpiperazine-1-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidin-3-yl]-cyclopropylmethanone

[4-(4-benzylpiperazine-1-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidin-3-yl]-cyclopropylmethanone (PubChem CID 42748148) has the molecular formula C23H33N3O2S and a molecular weight of 415.60 g/mol. Its IUPAC name is [4-(4-benzylpiperazine-1-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidin-3-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-(4-benzylpiperazine-1-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidin-3-yl]-cyclopropylmethanone
PubChem CID42748148
Molecular FormulaC23H33N3O2S
Molecular Weight415.60 g/mol
Exact Mass415.23
IUPAC Name[4-(4-benzylpiperazine-1-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidin-3-yl]-cyclopropylmethanone
SMILESCC(C)CC1SCC(C(=O)N2CCN(Cc3ccccc3)CC2)N1C(=O)C1CC1
InChIInChI=1S/C23H33N3O2S/c1-17(2)14-21-26(22(27)19-8-9-19)20(16-29-21)23(28)25-12-10-24(11-13-25)15-18-6-4-3-5-7-18/h3-7,17,19-21H,8-16H2,1-2H3
InChIKeyAAJHHBYOTCPIQX-UHFFFAOYSA-N
XLogP3.06
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.60
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 46779037
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
5-(4-benzylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one
CID 110687274
(4-benzylpiperazin-1-yl)-(thian-3-yl)methanone
CID 110853087
(4-benzylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanone
CID 45019515
(4-benzylpiperazin-1-yl)-[1-[[4-(diethylamino)phenyl]methyl]piperidin-4-yl]methanone;oxalic acid
CID 171151350
2-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]acetamide
CID 16909130
(4-benzylpiperazin-1-yl)-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone
CID 124797684
[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-(4-benzylpiperazin-1-yl)methanone
CID 1190427
[3-(4-benzylpiperazine-1-carbonyl)-5-phenylpiperidin-1-yl]-cyclopropylmethanone
CID 42865330
2-(4-benzylpiperazine-1-carbonyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 143048908
(4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30866604

Frequently Asked Questions

What is the IUPAC name of [4-(4-benzylpiperazine-1-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidin-3-yl]-cyclopropylmethanone?
The IUPAC name of [4-(4-benzylpiperazine-1-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidin-3-yl]-cyclopropylmethanone (CID 42748148) is [4-(4-benzylpiperazine-1-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidin-3-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-(4-benzylpiperazine-1-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidin-3-yl]-cyclopropylmethanone?
The canonical SMILES for [4-(4-benzylpiperazine-1-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidin-3-yl]-cyclopropylmethanone is CC(C)CC1SCC(C(=O)N2CCN(Cc3ccccc3)CC2)N1C(=O)C1CC1.
What is the InChIKey of [4-(4-benzylpiperazine-1-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidin-3-yl]-cyclopropylmethanone?
The InChIKey is AAJHHBYOTCPIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2S/c1-17(2)14-21-26(22(27)19-8-9-19)20(16-29-21)23(28)25-12-10-24(11-13-25)15-18-6-4-3-5-7-18/h3-7,17,19-21H,8-16H2,1-2H3.
What are the key properties of [4-(4-benzylpiperazine-1-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidin-3-yl]-cyclopropylmethanone?
[4-(4-benzylpiperazine-1-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidin-3-yl]-cyclopropylmethanone has a molecular weight of 415.60 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-benzylpiperazine-1-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidin-3-yl]-cyclopropylmethanone is sourced from PubChem (CID 42748148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).