[4-(cyclohexanecarbonylamino)phenyl] 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxylate

C24H32N4O3S — CID 57455994

IUPAC[4-(cyclohexanecarbonylamino)phenyl] 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxylate
SMILESCc1nc(CCN2CCN(C(=O)Oc3ccc(NC(=O)C4CCCCC4)cc3)CC2)cs1
InChIInChI=1S/C24H32N4O3S/c1-18-25-21(17-32-18)11-12-27-13-15-28(16-14-27)24(30)31-22-9-7-20(8-10-22)26-23(29)19-5-3-2-4-6-19/h7-10,17,19H,2-6,11-16H2,1H3,(H,26,29)
InChIKeyQRSQXWLQOHHMPL-UHFFFAOYSA-N
MW456.61 g/mol
LogP4.33
Rot. Bonds6

About [4-(cyclohexanecarbonylamino)phenyl] 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxylate

[4-(cyclohexanecarbonylamino)phenyl] 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxylate (PubChem CID 57455994) has the molecular formula C24H32N4O3S and a molecular weight of 456.61 g/mol. Its IUPAC name is [4-(cyclohexanecarbonylamino)phenyl] 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name[4-(cyclohexanecarbonylamino)phenyl] 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxylate
PubChem CID57455994
Molecular FormulaC24H32N4O3S
Molecular Weight456.61 g/mol
Exact Mass456.22
IUPAC Name[4-(cyclohexanecarbonylamino)phenyl] 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxylate
SMILESCc1nc(CCN2CCN(C(=O)Oc3ccc(NC(=O)C4CCCCC4)cc3)CC2)cs1
InChIInChI=1S/C24H32N4O3S/c1-18-25-21(17-32-18)11-12-27-13-15-28(16-14-27)24(30)31-22-9-7-20(8-10-22)26-23(29)19-5-3-2-4-6-19/h7-10,17,19H,2-6,11-16H2,1H3,(H,26,29)
InChIKeyQRSQXWLQOHHMPL-UHFFFAOYSA-N
XLogP4.33
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(cyclohexanecarbonylamino)phenyl] 4-[3-(6-methyl-2-pyridinyl)propyl]piperazine-1-carboxylate
CID 57455990
[4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxylate
CID 11294089
cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 110714326
(5-benzamido-2-pyridinyl) 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxylate;(5-benzamido-2-pyridinyl) 4-[2-(1H-pyrrol-2-yl)ethyl]piperazine-1-carboxylate
CID 158194393
3-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 91842742
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]piperidine-4-carboxamide
CID 56582320
4-[2-[4-(4-methoxyphenoxy)piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole
CID 29256300
2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole
CID 129059210
[4-[(2-cyclohexylacetyl)amino]phenyl] 4-[(4-methoxyphenyl)methyl]piperazine-1-carboxylate
CID 57473679
N-cyclopentyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 38204358
N-[2-(4-chloroanilino)-2-oxoethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56583103
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]cyclohexanecarboxamide
CID 110314916

Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexanecarbonylamino)phenyl] 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxylate?
The IUPAC name of [4-(cyclohexanecarbonylamino)phenyl] 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxylate (CID 57455994) is [4-(cyclohexanecarbonylamino)phenyl] 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for [4-(cyclohexanecarbonylamino)phenyl] 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxylate?
The canonical SMILES for [4-(cyclohexanecarbonylamino)phenyl] 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxylate is Cc1nc(CCN2CCN(C(=O)Oc3ccc(NC(=O)C4CCCCC4)cc3)CC2)cs1.
What is the InChIKey of [4-(cyclohexanecarbonylamino)phenyl] 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxylate?
The InChIKey is QRSQXWLQOHHMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3S/c1-18-25-21(17-32-18)11-12-27-13-15-28(16-14-27)24(30)31-22-9-7-20(8-10-22)26-23(29)19-5-3-2-4-6-19/h7-10,17,19H,2-6,11-16H2,1H3,(H,26,29).
What are the key properties of [4-(cyclohexanecarbonylamino)phenyl] 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxylate?
[4-(cyclohexanecarbonylamino)phenyl] 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxylate has a molecular weight of 456.61 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexanecarbonylamino)phenyl] 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 57455994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).