(4-methylpiperidin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

C16H25N3OS — CID 63122301

IUPAC(4-methylpiperidin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESCC1(C(=O)N2CCN(Cc3ccsc3)CC2)CCNCC1
InChIInChI=1S/C16H25N3OS/c1-16(3-5-17-6-4-16)15(20)19-9-7-18(8-10-19)12-14-2-11-21-13-14/h2,11,13,17H,3-10,12H2,1H3
InChIKeyIGMLUTWKYQABNZ-UHFFFAOYSA-N
MW307.46 g/mol
LogP1.78
Rot. Bonds3

About (4-methylpiperidin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

(4-methylpiperidin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 63122301) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is (4-methylpiperidin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID63122301
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name(4-methylpiperidin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESCC1(C(=O)N2CCN(Cc3ccsc3)CC2)CCNCC1
InChIInChI=1S/C16H25N3OS/c1-16(3-5-17-6-4-16)15(20)19-9-7-18(8-10-19)12-14-2-11-21-13-14/h2,11,13,17H,3-10,12H2,1H3
InChIKeyIGMLUTWKYQABNZ-UHFFFAOYSA-N
XLogP1.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-methylpiperidin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride
CID 119826732
2-(3-methylazetidin-3-yl)oxy-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 102611807
ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate
CID 30981151
1-(3-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one
CID 116570036
2-amino-2-methyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 60937727
4-(methylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-1-one
CID 54869917
(4-benzylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone
CID 113231360
(3-methylpyrrolidin-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 102778531
2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 54869915
4-methyl-N-(2-thiophen-3-ylethyl)piperidine-4-carboxamide
CID 63122358
(3-methylpyrrolidin-3-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 63143419
3-methyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119716336

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-methylpiperidin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (CID 63122301) is (4-methylpiperidin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methylpiperidin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is CC1(C(=O)N2CCN(Cc3ccsc3)CC2)CCNCC1.
What is the InChIKey of (4-methylpiperidin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is IGMLUTWKYQABNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-16(3-5-17-6-4-16)15(20)19-9-7-18(8-10-19)12-14-2-11-21-13-14/h2,11,13,17H,3-10,12H2,1H3.
What are the key properties of (4-methylpiperidin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
(4-methylpiperidin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 307.46 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 63122301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).