(2S,4R)-N-cyclohexyl-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide

C22H34N4O3S — CID 110197299

IUPAC(2S,4R)-N-cyclohexyl-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCc1nc(C)c(C(=O)N2CCC(N3C[C@H](O)C[C@H]3C(=O)NC3CCCCC3)CC2)s1
InChIInChI=1S/C22H34N4O3S/c1-14-20(30-15(2)23-14)22(29)25-10-8-17(9-11-25)26-13-18(27)12-19(26)21(28)24-16-6-4-3-5-7-16/h16-19,27H,3-13H2,1-2H3,(H,24,28)/t18-,19+/m1/s1
InChIKeyRZWQFYRWKXMAHP-MOPGFXCFSA-N
MW434.61 g/mol
LogP2.25
Rot. Bonds4

About (2S,4R)-N-cyclohexyl-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide

(2S,4R)-N-cyclohexyl-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 110197299) has the molecular formula C22H34N4O3S and a molecular weight of 434.61 g/mol. Its IUPAC name is (2S,4R)-N-cyclohexyl-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-cyclohexyl-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID110197299
Molecular FormulaC22H34N4O3S
Molecular Weight434.61 g/mol
Exact Mass434.24
IUPAC Name(2S,4R)-N-cyclohexyl-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCc1nc(C)c(C(=O)N2CCC(N3C[C@H](O)C[C@H]3C(=O)NC3CCCCC3)CC2)s1
InChIInChI=1S/C22H34N4O3S/c1-14-20(30-15(2)23-14)22(29)25-10-8-17(9-11-25)26-13-18(27)12-19(26)21(28)24-16-6-4-3-5-7-16/h16-19,27H,3-13H2,1-2H3,(H,24,28)/t18-,19+/m1/s1
InChIKeyRZWQFYRWKXMAHP-MOPGFXCFSA-N
XLogP2.25
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.61
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-cyclohexyl-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-cyclohexyl-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide (CID 110197299) is (2S,4R)-N-cyclohexyl-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-cyclohexyl-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-cyclohexyl-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide is Cc1nc(C)c(C(=O)N2CCC(N3C[C@H](O)C[C@H]3C(=O)NC3CCCCC3)CC2)s1.
What is the InChIKey of (2S,4R)-N-cyclohexyl-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is RZWQFYRWKXMAHP-MOPGFXCFSA-N. The full InChI is InChI=1S/C22H34N4O3S/c1-14-20(30-15(2)23-14)22(29)25-10-8-17(9-11-25)26-13-18(27)12-19(26)21(28)24-16-6-4-3-5-7-16/h16-19,27H,3-13H2,1-2H3,(H,24,28)/t18-,19+/m1/s1.
What are the key properties of (2S,4R)-N-cyclohexyl-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide?
(2S,4R)-N-cyclohexyl-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 434.61 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-cyclohexyl-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110197299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).