[1-[3-(4-methylphenyl)thiophene-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone

C23H28N2O2S — CID 51255293

IUPAC[1-[3-(4-methylphenyl)thiophene-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(-c2ccsc2C(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C23H28N2O2S/c1-17-5-7-18(8-6-17)20-11-16-28-21(20)23(27)25-14-9-19(10-15-25)22(26)24-12-3-2-4-13-24/h5-8,11,16,19H,2-4,9-10,12-15H2,1H3
InChIKeyLQYLVNNKBLUDCB-UHFFFAOYSA-N
MW396.56 g/mol
LogP4.59
Rot. Bonds3

About [1-[3-(4-methylphenyl)thiophene-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone

[1-[3-(4-methylphenyl)thiophene-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 51255293) has the molecular formula C23H28N2O2S and a molecular weight of 396.56 g/mol. Its IUPAC name is [1-[3-(4-methylphenyl)thiophene-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[3-(4-methylphenyl)thiophene-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID51255293
Molecular FormulaC23H28N2O2S
Molecular Weight396.56 g/mol
Exact Mass396.19
IUPAC Name[1-[3-(4-methylphenyl)thiophene-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(-c2ccsc2C(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C23H28N2O2S/c1-17-5-7-18(8-6-17)20-11-16-28-21(20)23(27)25-14-9-19(10-15-25)22(26)24-12-3-2-4-13-24/h5-8,11,16,19H,2-4,9-10,12-15H2,1H3
InChIKeyLQYLVNNKBLUDCB-UHFFFAOYSA-N
XLogP4.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-[3-(4-methylphenyl)thiophene-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone 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

1,4-diazepan-1-yl-[3-(4-methylphenyl)thiophen-2-yl]methanone;hydrochloride
CID 119414236
N-cyclohexyl-N-methyl-4-[3-(4-methylphenyl)thiophene-2-carbonyl]piperazine-1-sulfonamide
CID 55599951
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone;hydrochloride
CID 119483382
[3-(4-methylphenyl)thiophen-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 134044933
(4-methylpiperidin-1-yl)-(3-phenylthiophen-2-yl)methanone
CID 78768210
[4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone
CID 112800363
[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone
CID 31475610
[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone
CID 55917383
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 118775973
cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797446
cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone
CID 110346969
1-(3-methylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 24704942

Frequently Asked Questions

What is the IUPAC name of [1-[3-(4-methylphenyl)thiophene-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[3-(4-methylphenyl)thiophene-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone (CID 51255293) is [1-[3-(4-methylphenyl)thiophene-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[3-(4-methylphenyl)thiophene-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[3-(4-methylphenyl)thiophene-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone is Cc1ccc(-c2ccsc2C(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1.
What is the InChIKey of [1-[3-(4-methylphenyl)thiophene-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is LQYLVNNKBLUDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2S/c1-17-5-7-18(8-6-17)20-11-16-28-21(20)23(27)25-14-9-19(10-15-25)22(26)24-12-3-2-4-13-24/h5-8,11,16,19H,2-4,9-10,12-15H2,1H3.
What are the key properties of [1-[3-(4-methylphenyl)thiophene-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone?
[1-[3-(4-methylphenyl)thiophene-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 396.56 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(4-methylphenyl)thiophene-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 51255293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).