2-cyclohexyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide

C22H29N3OS — CID 6489770

IUPAC2-cyclohexyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide
SMILESO=C(CC1CCCCC1)NC1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C22H29N3OS/c26-21(15-17-7-3-1-4-8-17)23-19-11-13-25(14-12-19)22-24-20(16-27-22)18-9-5-2-6-10-18/h2,5-6,9-10,16-17,19H,1,3-4,7-8,11-15H2,(H,23,26)
InChIKeyHUPOAQNZLBFMIG-UHFFFAOYSA-N
MW383.56 g/mol
LogP4.87
Rot. Bonds5

About 2-cyclohexyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide

2-cyclohexyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide (PubChem CID 6489770) has the molecular formula C22H29N3OS and a molecular weight of 383.56 g/mol. Its IUPAC name is 2-cyclohexyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide
PubChem CID6489770
Molecular FormulaC22H29N3OS
Molecular Weight383.56 g/mol
Exact Mass383.20
IUPAC Name2-cyclohexyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide
SMILESO=C(CC1CCCCC1)NC1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C22H29N3OS/c26-21(15-17-7-3-1-4-8-17)23-19-11-13-25(14-12-19)22-24-20(16-27-22)18-9-5-2-6-10-18/h2,5-6,9-10,16-17,19H,1,3-4,7-8,11-15H2,(H,23,26)
InChIKeyHUPOAQNZLBFMIG-UHFFFAOYSA-N
XLogP4.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide
CID 133278132
2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 47085916
4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907711
2-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-2-yl]acetic acid
CID 61009837
2-cyclohexyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108761273
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-cyclohexylpiperazine-1-carbothioamide
CID 3223728
2-cyclohexyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
CID 99756157
2-phenyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 4224043
N-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-cyclopentylacetamide
CID 127939435
4-phenyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)-1,3-thiazole
CID 163418785
4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid
CID 58256899

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide (CID 6489770) is 2-cyclohexyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide is O=C(CC1CCCCC1)NC1CCN(c2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of 2-cyclohexyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide?
The InChIKey is HUPOAQNZLBFMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3OS/c26-21(15-17-7-3-1-4-8-17)23-19-11-13-25(14-12-19)22-24-20(16-27-22)18-9-5-2-6-10-18/h2,5-6,9-10,16-17,19H,1,3-4,7-8,11-15H2,(H,23,26).
What are the key properties of 2-cyclohexyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide?
2-cyclohexyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide has a molecular weight of 383.56 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 6489770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).