(3-methylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone

C16H23N3O2S — CID 119576927

IUPAC(3-methylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone
SMILESCC1CN(C(=O)C2CCCCN2C(=O)c2cccs2)CCN1
InChIInChI=1S/C16H23N3O2S/c1-12-11-18(9-7-17-12)15(20)13-5-2-3-8-19(13)16(21)14-6-4-10-22-14/h4,6,10,12-13,17H,2-3,5,7-9,11H2,1H3
InChIKeyCHUOZTTUGQIUCE-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.56
Rot. Bonds2

About (3-methylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone

(3-methylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone (PubChem CID 119576927) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is (3-methylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone
PubChem CID119576927
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name(3-methylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone
SMILESCC1CN(C(=O)C2CCCCN2C(=O)c2cccs2)CCN1
InChIInChI=1S/C16H23N3O2S/c1-12-11-18(9-7-17-12)15(20)13-5-2-3-8-19(13)16(21)14-6-4-10-22-14/h4,6,10,12-13,17H,2-3,5,7-9,11H2,1H3
InChIKeyCHUOZTTUGQIUCE-UHFFFAOYSA-N
XLogP1.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-diazepan-1-yl-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone
CID 119414809
1-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 119167862
[3-(1-aminoethyl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride
CID 119593326
(5-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone
CID 82242378
[4-(1-aminoethyl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride
CID 119517343
(3-methylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone
CID 119576574
[4-(methylaminomethyl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride
CID 119543284
[3-(1-aminoethyl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone;hydrochloride
CID 119596429
N-piperidin-4-yl-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
CID 119386471
3-methyl-1-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119257459
[2-(3-methylpiperazine-1-carbonyl)phenyl]-thiophen-2-ylmethanone;hydrochloride
CID 119579880
1-piperidin-1-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one
CID 86890935

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone?
The IUPAC name of (3-methylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone (CID 119576927) is (3-methylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone.
What is the SMILES notation for (3-methylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone?
The canonical SMILES for (3-methylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone is CC1CN(C(=O)C2CCCCN2C(=O)c2cccs2)CCN1.
What is the InChIKey of (3-methylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone?
The InChIKey is CHUOZTTUGQIUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-12-11-18(9-7-17-12)15(20)13-5-2-3-8-19(13)16(21)14-6-4-10-22-14/h4,6,10,12-13,17H,2-3,5,7-9,11H2,1H3.
What are the key properties of (3-methylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone?
(3-methylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone has a molecular weight of 321.45 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone is sourced from PubChem (CID 119576927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).