4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-piperidin-1-ylbutane-1-thione

C21H34N2OS — CID 19872421

IUPAC4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-piperidin-1-ylbutane-1-thione
SMILESCCN(CCCC(=S)N1CCCCC1)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C21H34N2OS/c1-4-22(16-8-9-21(25)23-14-6-5-7-15-23)18(2)17-19-10-12-20(24-3)13-11-19/h10-13,18H,4-9,14-17H2,1-3H3
InChIKeyGEVHRNNYAALDKR-UHFFFAOYSA-N
MW362.58 g/mol
LogP4.54
Rot. Bonds9

About 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-piperidin-1-ylbutane-1-thione

4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-piperidin-1-ylbutane-1-thione (PubChem CID 19872421) has the molecular formula C21H34N2OS and a molecular weight of 362.58 g/mol. Its IUPAC name is 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-piperidin-1-ylbutane-1-thione.

Molecular Properties

Compound Name4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-piperidin-1-ylbutane-1-thione
PubChem CID19872421
Molecular FormulaC21H34N2OS
Molecular Weight362.58 g/mol
Exact Mass362.24
IUPAC Name4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-piperidin-1-ylbutane-1-thione
SMILESCCN(CCCC(=S)N1CCCCC1)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C21H34N2OS/c1-4-22(16-8-9-21(25)23-14-6-5-7-15-23)18(2)17-19-10-12-20(24-3)13-11-19/h10-13,18H,4-9,14-17H2,1-3H3
InChIKeyGEVHRNNYAALDKR-UHFFFAOYSA-N
XLogP4.54
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.58
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-piperidin-1-ylbutane-1-thione 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-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 19872420
ethyl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate
CID 19872410
propan-2-yl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate
CID 54252796
1-(4-benzoylpiperazin-1-yl)-4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-one
CID 19872439
7-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]heptanoic acid;hydrochloride
CID 70613084
N-ethyl-1-(4-methoxyphenyl)-N-[3-(2-propan-2-yl-1,3-dioxolan-2-yl)propyl]propan-2-amine
CID 22760827
2-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylethanone
CID 56784565
N-[(4-methoxyphenyl)methyl]piperidine-1-carbothioamide
CID 4683668
4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate
CID 4031
4-[cyclopropyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 19872408
(2S)-2-amino-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 142904155
azane;[4-[2-[(4-cyclohexyl-4-oxobutyl)-propylamino]propyl]phenyl] dihydrogen phosphate
CID 70416083

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-piperidin-1-ylbutane-1-thione?
The IUPAC name of 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-piperidin-1-ylbutane-1-thione (CID 19872421) is 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-piperidin-1-ylbutane-1-thione.
What is the SMILES notation for 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-piperidin-1-ylbutane-1-thione?
The canonical SMILES for 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-piperidin-1-ylbutane-1-thione is CCN(CCCC(=S)N1CCCCC1)C(C)Cc1ccc(OC)cc1.
What is the InChIKey of 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-piperidin-1-ylbutane-1-thione?
The InChIKey is GEVHRNNYAALDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2OS/c1-4-22(16-8-9-21(25)23-14-6-5-7-15-23)18(2)17-19-10-12-20(24-3)13-11-19/h10-13,18H,4-9,14-17H2,1-3H3.
What are the key properties of 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-piperidin-1-ylbutane-1-thione?
4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-piperidin-1-ylbutane-1-thione has a molecular weight of 362.58 g/mol, XLogP of 4.54, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-piperidin-1-ylbutane-1-thione is sourced from PubChem (CID 19872421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).