4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one

C16H17ClN2O3S — CID 102558711

IUPAC4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one
SMILESO=C1NC(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)CS1
InChIInChI=1S/C16H17ClN2O3S/c17-12-3-1-10(2-4-12)14(20)11-5-7-19(8-6-11)15(21)13-9-23-16(22)18-13/h1-4,11,13H,5-9H2,(H,18,22)
InChIKeyNUALFZNGCOKJOY-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.59
Rot. Bonds3

About 4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one

4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one (PubChem CID 102558711) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one
PubChem CID102558711
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one
SMILESO=C1NC(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)CS1
InChIInChI=1S/C16H17ClN2O3S/c17-12-3-1-10(2-4-12)14(20)11-5-7-19(8-6-11)15(21)13-9-23-16(22)18-13/h1-4,11,13H,5-9H2,(H,18,22)
InChIKeyNUALFZNGCOKJOY-UHFFFAOYSA-N
XLogP2.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl)-[1-(1,3-thiazolidine-4-carbonyl)piperidin-4-yl]methanone
CID 119289949
4-(5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,3-thiazolidin-2-one
CID 71974263
(4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-piperidin-4-ylmethanone;hydrochloride
CID 160738469
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 87042975
(4-chlorophenyl)-[1-(3-hydroxy-2-iodobenzoyl)piperidin-4-yl]methanone
CID 155555471
[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 120987051
[1-(2-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 155533081
(4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 161046033
(2S)-2-amino-1-[4-(4-chlorobenzoyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119289954
tert-butyl 4-(4-chlorobenzoyl)piperidine-1-carboxylate
CID 10519988
[1-(3-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 155515611
[1-(4-chloro-3-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 155535689

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one?
The IUPAC name of 4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one (CID 102558711) is 4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for 4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one?
The canonical SMILES for 4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one is O=C1NC(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)CS1.
What is the InChIKey of 4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one?
The InChIKey is NUALFZNGCOKJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c17-12-3-1-10(2-4-12)14(20)11-5-7-19(8-6-11)15(21)13-9-23-16(22)18-13/h1-4,11,13H,5-9H2,(H,18,22).
What are the key properties of 4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one?
4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one has a molecular weight of 352.84 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 102558711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).