(4-piperidin-4-ylphenyl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

C23H29N5O2S — CID 68782207

IUPAC(4-piperidin-4-ylphenyl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
SMILESO=C(c1ccc(C2CCNCC2)cc1)N1CC(N2CCN(C(=O)c3cscn3)CC2)C1
InChIInChI=1S/C23H29N5O2S/c29-22(19-3-1-17(2-4-19)18-5-7-24-8-6-18)28-13-20(14-28)26-9-11-27(12-10-26)23(30)21-15-31-16-25-21/h1-4,15-16,18,20,24H,5-14H2
InChIKeyYOTRCVDKFBOFQS-UHFFFAOYSA-N
MW439.59 g/mol
LogP1.89
Rot. Bonds4

About (4-piperidin-4-ylphenyl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

(4-piperidin-4-ylphenyl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (PubChem CID 68782207) has the molecular formula C23H29N5O2S and a molecular weight of 439.59 g/mol. Its IUPAC name is (4-piperidin-4-ylphenyl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-piperidin-4-ylphenyl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
PubChem CID68782207
Molecular FormulaC23H29N5O2S
Molecular Weight439.59 g/mol
Exact Mass439.20
IUPAC Name(4-piperidin-4-ylphenyl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
SMILESO=C(c1ccc(C2CCNCC2)cc1)N1CC(N2CCN(C(=O)c3cscn3)CC2)C1
InChIInChI=1S/C23H29N5O2S/c29-22(19-3-1-17(2-4-19)18-5-7-24-8-6-18)28-13-20(14-28)26-9-11-27(12-10-26)23(30)21-15-31-16-25-21/h1-4,15-16,18,20,24H,5-14H2
InChIKeyYOTRCVDKFBOFQS-UHFFFAOYSA-N
XLogP1.89
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.59
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(1,3-thiazol-4-yl)methanone
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[3-phenyl-5-(trifluoromethyl)phenyl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840649
(1-phenylbenzimidazol-5-yl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840741
[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 126893336
(3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63049254
[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95718041
[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 56904168
(4-cyclohexylphenyl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 68777898
[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]-[(1R,2R)-2-[4-(trifluoromethylsulfanyl)phenyl]cyclopropyl]methanone
CID 59625909
[4-[1-(1,3-thiazole-4-carbonyl)azetidin-3-yl]piperazin-1-yl]-[5-(trifluoromethyl)-1H-indol-2-yl]methanone
CID 66840440
cyclopropyl-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 63049768
(4R)-4-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]oxolan-2-one
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Frequently Asked Questions

What is the IUPAC name of (4-piperidin-4-ylphenyl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The IUPAC name of (4-piperidin-4-ylphenyl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (CID 68782207) is (4-piperidin-4-ylphenyl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.
What is the SMILES notation for (4-piperidin-4-ylphenyl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The canonical SMILES for (4-piperidin-4-ylphenyl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is O=C(c1ccc(C2CCNCC2)cc1)N1CC(N2CCN(C(=O)c3cscn3)CC2)C1.
What is the InChIKey of (4-piperidin-4-ylphenyl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The InChIKey is YOTRCVDKFBOFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2S/c29-22(19-3-1-17(2-4-19)18-5-7-24-8-6-18)28-13-20(14-28)26-9-11-27(12-10-26)23(30)21-15-31-16-25-21/h1-4,15-16,18,20,24H,5-14H2.
What are the key properties of (4-piperidin-4-ylphenyl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
(4-piperidin-4-ylphenyl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone has a molecular weight of 439.59 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-4-ylphenyl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 68782207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).