3-phenyl-1-[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one

C23H29N3O2S — CID 56544865

IUPAC3-phenyl-1-[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCC(C(=O)N2CCCC(c3nccs3)C2)CC1
InChIInChI=1S/C23H29N3O2S/c27-21(9-8-18-5-2-1-3-6-18)25-14-10-19(11-15-25)23(28)26-13-4-7-20(17-26)22-24-12-16-29-22/h1-3,5-6,12,16,19-20H,4,7-11,13-15,17H2
InChIKeyMCAQTWZCJBRFDR-UHFFFAOYSA-N
MW411.57 g/mol
LogP3.72
Rot. Bonds5

About 3-phenyl-1-[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one

3-phenyl-1-[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one (PubChem CID 56544865) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is 3-phenyl-1-[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
PubChem CID56544865
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC Name3-phenyl-1-[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCC(C(=O)N2CCCC(c3nccs3)C2)CC1
InChIInChI=1S/C23H29N3O2S/c27-21(9-8-18-5-2-1-3-6-18)25-14-10-19(11-15-25)23(28)26-13-4-7-20(17-26)22-24-12-16-29-22/h1-3,5-6,12,16,19-20H,4,7-11,13-15,17H2
InChIKeyMCAQTWZCJBRFDR-UHFFFAOYSA-N
XLogP3.72
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-1-[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one 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

3-pyridin-3-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124553959
1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 127247595
1-[4-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119487743
3-(1-methylpyrazol-4-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95761150
3-(4-hydroxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 136531042
N-cyclopropyl-4-[3-oxo-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]benzenesulfonamide
CID 56579127
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95761165
3-(4-phenyl-1,3-thiazol-2-yl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 110628802
4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]morpholine-2-carboxylic acid
CID 119239884
N-(3-methylphenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
CID 86903163
3-(3-bromo-4-methoxyphenyl)-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 56532952
2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119873436

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-phenyl-1-[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one (CID 56544865) is 3-phenyl-1-[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one is O=C(CCc1ccccc1)N1CCC(C(=O)N2CCCC(c3nccs3)C2)CC1.
What is the InChIKey of 3-phenyl-1-[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one?
The InChIKey is MCAQTWZCJBRFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c27-21(9-8-18-5-2-1-3-6-18)25-14-10-19(11-15-25)23(28)26-13-4-7-20(17-26)22-24-12-16-29-22/h1-3,5-6,12,16,19-20H,4,7-11,13-15,17H2.
What are the key properties of 3-phenyl-1-[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one?
3-phenyl-1-[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one has a molecular weight of 411.57 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 56544865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).