[4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone

C21H27N3OS — CID 110409450

IUPAC[4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCN1CCC(c2ccccc2)(N2CCN(C(=O)c3cccs3)CC2)CC1
InChIInChI=1S/C21H27N3OS/c1-22-11-9-21(10-12-22,18-6-3-2-4-7-18)24-15-13-23(14-16-24)20(25)19-8-5-17-26-19/h2-8,17H,9-16H2,1H3
InChIKeyMPXWYVZKGCVOHM-UHFFFAOYSA-N
MW369.53 g/mol
LogP3.13
Rot. Bonds3

About [4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 110409450) has the molecular formula C21H27N3OS and a molecular weight of 369.53 g/mol. Its IUPAC name is [4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID110409450
Molecular FormulaC21H27N3OS
Molecular Weight369.53 g/mol
Exact Mass369.19
IUPAC Name[4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCN1CCC(c2ccccc2)(N2CCN(C(=O)c3cccs3)CC2)CC1
InChIInChI=1S/C21H27N3OS/c1-22-11-9-21(10-12-22,18-6-3-2-4-7-18)24-15-13-23(14-16-24)20(25)19-8-5-17-26-19/h2-8,17H,9-16H2,1H3
InChIKeyMPXWYVZKGCVOHM-UHFFFAOYSA-N
XLogP3.13
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
methyl 4-(1-methyl-4-phenylpiperidin-4-yl)piperazine-1-carboxylate
CID 110409495
(2-methoxyphenyl)-[4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]methanone
CID 110637980
1-methyl-4-(1-phenylcyclopropyl)piperazine
CID 137320313
1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]propan-1-one
CID 68984658
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 65466438
(2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 28705160
(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 64592496
(4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 1154208
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 47127631

Frequently Asked Questions

What is the IUPAC name of [4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 110409450) is [4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone is CN1CCC(c2ccccc2)(N2CCN(C(=O)c3cccs3)CC2)CC1.
What is the InChIKey of [4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is MPXWYVZKGCVOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3OS/c1-22-11-9-21(10-12-22,18-6-3-2-4-7-18)24-15-13-23(14-16-24)20(25)19-8-5-17-26-19/h2-8,17H,9-16H2,1H3.
What are the key properties of [4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 369.53 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 110409450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).