[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone

C22H29ClN4OS — CID 24794149

IUPAC[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC(C)c1nc(C(=O)N2CCCC(N3CCN(c4cccc(Cl)c4)CC3)C2)cs1
InChIInChI=1S/C22H29ClN4OS/c1-16(2)21-24-20(15-29-21)22(28)27-8-4-7-19(14-27)26-11-9-25(10-12-26)18-6-3-5-17(23)13-18/h3,5-6,13,15-16,19H,4,7-12,14H2,1-2H3
InChIKeyGSDKCMWRUKEVLN-UHFFFAOYSA-N
MW433.02 g/mol
LogP4.35
Rot. Bonds4

About [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone

[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 24794149) has the molecular formula C22H29ClN4OS and a molecular weight of 433.02 g/mol. Its IUPAC name is [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID24794149
Molecular FormulaC22H29ClN4OS
Molecular Weight433.02 g/mol
Exact Mass432.18
IUPAC Name[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC(C)c1nc(C(=O)N2CCCC(N3CCN(c4cccc(Cl)c4)CC3)C2)cs1
InChIInChI=1S/C22H29ClN4OS/c1-16(2)21-24-20(15-29-21)22(28)27-8-4-7-19(14-27)26-11-9-25(10-12-26)18-6-3-5-17(23)13-18/h3,5-6,13,15-16,19H,4,7-12,14H2,1-2H3
InChIKeyGSDKCMWRUKEVLN-UHFFFAOYSA-N
XLogP4.35
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.02
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone (CID 24794149) is [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone is CC(C)c1nc(C(=O)N2CCCC(N3CCN(c4cccc(Cl)c4)CC3)C2)cs1.
What is the InChIKey of [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is GSDKCMWRUKEVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN4OS/c1-16(2)21-24-20(15-29-21)22(28)27-8-4-7-19(14-27)26-11-9-25(10-12-26)18-6-3-5-17(23)13-18/h3,5-6,13,15-16,19H,4,7-12,14H2,1-2H3.
What are the key properties of [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 433.02 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 24794149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).