[4-(piperazine-1-carbonyl)piperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone

C17H26N4O2S — CID 166250594

IUPAC[4-(piperazine-1-carbonyl)piperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone
SMILESCC(C)c1ccsc1C(=O)N1CCN(C(=O)N2CCNCC2)CC1
InChIInChI=1S/C17H26N4O2S/c1-13(2)14-3-12-24-15(14)16(22)19-8-10-21(11-9-19)17(23)20-6-4-18-5-7-20/h3,12-13,18H,4-11H2,1-2H3
InChIKeyCFIYZFXEJCBNFU-UHFFFAOYSA-N
MW350.49 g/mol
LogP1.65
Rot. Bonds2

About [4-(piperazine-1-carbonyl)piperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone

[4-(piperazine-1-carbonyl)piperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone (PubChem CID 166250594) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is [4-(piperazine-1-carbonyl)piperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(piperazine-1-carbonyl)piperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone
PubChem CID166250594
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name[4-(piperazine-1-carbonyl)piperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone
SMILESCC(C)c1ccsc1C(=O)N1CCN(C(=O)N2CCNCC2)CC1
InChIInChI=1S/C17H26N4O2S/c1-13(2)14-3-12-24-15(14)16(22)19-8-10-21(11-9-19)17(23)20-6-4-18-5-7-20/h3,12-13,18H,4-11H2,1-2H3
InChIKeyCFIYZFXEJCBNFU-UHFFFAOYSA-N
XLogP1.65
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylsulfanylthiophen-2-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119400398
(3-propan-2-ylthiophen-2-yl)-[(4R)-4-pyrrolidin-1-ylazepan-1-yl]methanone
CID 97215122
piperazin-1-yl-(2-propan-2-ylphenyl)methanone
CID 82510229
(4-amino-3,3-dimethylpiperidin-1-yl)-(3-propan-2-ylthiophen-2-yl)methanone
CID 120814984
1,4-diazepan-1-yl-[3-(4-methylphenyl)thiophen-2-yl]methanone;hydrochloride
CID 119414236
2-[(2S)-4-(3-propan-2-ylthiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 124682778
ethane;piperazin-1-yl(thiophen-2-yl)methanone
CID 142187928
1,4-diazepan-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119414812
[4-(azetidin-3-yl)piperazin-1-yl]-(3-ethylthiophen-2-yl)methanone
CID 66202716
piperazin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 24858712
[(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 81427148
(3-chloro-4-methylthiophen-2-yl)-(1,4-diazepan-1-yl)methanone
CID 103399757

Frequently Asked Questions

What is the IUPAC name of [4-(piperazine-1-carbonyl)piperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone?
The IUPAC name of [4-(piperazine-1-carbonyl)piperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone (CID 166250594) is [4-(piperazine-1-carbonyl)piperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone.
What is the SMILES notation for [4-(piperazine-1-carbonyl)piperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone?
The canonical SMILES for [4-(piperazine-1-carbonyl)piperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone is CC(C)c1ccsc1C(=O)N1CCN(C(=O)N2CCNCC2)CC1.
What is the InChIKey of [4-(piperazine-1-carbonyl)piperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone?
The InChIKey is CFIYZFXEJCBNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-13(2)14-3-12-24-15(14)16(22)19-8-10-21(11-9-19)17(23)20-6-4-18-5-7-20/h3,12-13,18H,4-11H2,1-2H3.
What are the key properties of [4-(piperazine-1-carbonyl)piperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone?
[4-(piperazine-1-carbonyl)piperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone has a molecular weight of 350.49 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(piperazine-1-carbonyl)piperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone is sourced from PubChem (CID 166250594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).