(2-methylcyclopropyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

C14H20N2OS — CID 78801873

IUPAC(2-methylcyclopropyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESCC1CC1C(=O)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C14H20N2OS/c1-11-9-13(11)14(17)16-6-4-15(5-7-16)10-12-3-2-8-18-12/h2-3,8,11,13H,4-7,9-10H2,1H3
InChIKeyMMMSRZDSBOEFIS-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.05
Rot. Bonds3

About (2-methylcyclopropyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

(2-methylcyclopropyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 78801873) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is (2-methylcyclopropyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylcyclopropyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID78801873
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name(2-methylcyclopropyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESCC1CC1C(=O)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C14H20N2OS/c1-11-9-13(11)14(17)16-6-4-15(5-7-16)10-12-3-2-8-18-12/h2-3,8,11,13H,4-7,9-10H2,1H3
InChIKeyMMMSRZDSBOEFIS-UHFFFAOYSA-N
XLogP2.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-methylcyclopropyl)-[4-(thiophen-2-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

2-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60949286
(2-hydroxycyclopentyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 110015109
(2-phenylcyclopropyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 56819682
3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 156608361
(4-methylpiperidin-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 114423308
methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
CID 110709201
2,2-dimethyl-1-[4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 78802784
2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 146037585
4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 78982831
(2S)-2-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 93368060
[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 120938125
piperidin-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 60937029

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopropyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-methylcyclopropyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (CID 78801873) is (2-methylcyclopropyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methylcyclopropyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methylcyclopropyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is CC1CC1C(=O)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of (2-methylcyclopropyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is MMMSRZDSBOEFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-11-9-13(11)14(17)16-6-4-15(5-7-16)10-12-3-2-8-18-12/h2-3,8,11,13H,4-7,9-10H2,1H3.
What are the key properties of (2-methylcyclopropyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
(2-methylcyclopropyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 264.39 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopropyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 78801873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).