[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone

C17H27N3OS — CID 95615876

IUPAC[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCN(C[C@H]2CCCCN2C)CC1
InChIInChI=1S/C17H27N3OS/c1-14-6-12-22-16(14)17(21)20-10-8-19(9-11-20)13-15-5-3-4-7-18(15)2/h6,12,15H,3-5,7-11,13H2,1-2H3/t15-/m1/s1
InChIKeyCXUMNRPNPQZEAC-OAHLLOKOSA-N
MW321.49 g/mol
LogP2.30
Rot. Bonds3

About [4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone

[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 95615876) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is [4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID95615876
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC Name[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCN(C[C@H]2CCCCN2C)CC1
InChIInChI=1S/C17H27N3OS/c1-14-6-12-22-16(14)17(21)20-10-8-19(9-11-20)13-15-5-3-4-7-18(15)2/h6,12,15H,3-5,7-11,13H2,1-2H3/t15-/m1/s1
InChIKeyCXUMNRPNPQZEAC-OAHLLOKOSA-N
XLogP2.30
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone with MolForge

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Related Compounds

(5-fluoro-2-methylphenyl)-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone
CID 95312485
(5-ethyl-4-methylthiophen-2-yl)-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone
CID 95615880
1-(3-methylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 24704942
2-[1-(3-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid
CID 54899521
(3-methylthiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 53193426
(4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638229
2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]acetic acid
CID 78980342
1-(3-methylthiophene-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91954030
3-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-2-carboxamide
CID 140519163
(2-ethoxyphenyl)-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone
CID 95304741
[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 95378374
[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 95378375

Frequently Asked Questions

What is the IUPAC name of [4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone (CID 95615876) is [4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)N1CCN(C[C@H]2CCCCN2C)CC1.
What is the InChIKey of [4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is CXUMNRPNPQZEAC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N3OS/c1-14-6-12-22-16(14)17(21)20-10-8-19(9-11-20)13-15-5-3-4-7-18(15)2/h6,12,15H,3-5,7-11,13H2,1-2H3/t15-/m1/s1.
What are the key properties of [4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone?
[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 321.49 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 95615876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).