(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide

C21H33N5O3 — CID 110197323

IUPAC(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESCn1ccnc1C(=O)N1CCC(N2C[C@H](O)C[C@H]2C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C21H33N5O3/c1-24-12-9-22-19(24)21(29)25-10-7-16(8-11-25)26-14-17(27)13-18(26)20(28)23-15-5-3-2-4-6-15/h9,12,15-18,27H,2-8,10-11,13-14H2,1H3,(H,23,28)/t17-,18+/m1/s1
InChIKeyWUJAQBGNOYXEPP-MSOLQXFVSA-N
MW403.53 g/mol
LogP0.91
Rot. Bonds4

About (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide

(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 110197323) has the molecular formula C21H33N5O3 and a molecular weight of 403.53 g/mol. Its IUPAC name is (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID110197323
Molecular FormulaC21H33N5O3
Molecular Weight403.53 g/mol
Exact Mass403.26
IUPAC Name(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESCn1ccnc1C(=O)N1CCC(N2C[C@H](O)C[C@H]2C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C21H33N5O3/c1-24-12-9-22-19(24)21(29)25-10-7-16(8-11-25)26-14-17(27)13-18(26)20(28)23-15-5-3-2-4-6-15/h9,12,15-18,27H,2-8,10-11,13-14H2,1H3,(H,23,28)/t17-,18+/m1/s1
InChIKeyWUJAQBGNOYXEPP-MSOLQXFVSA-N
XLogP0.91
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-2-(3-hydroxypiperidin-1-yl)acetamide
CID 91796843
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CID 132358589
(3-Hydroxypyrrolidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-8-yl)methanone
CID 54405569
(2R)-1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide
CID 59884892
N-cyclohexylpiperazine-1-carboxamide;N-(2-hydroxy-3-imidazol-1-ylpropyl)acetamide
CID 142002304
(3R)-3-hydroxy-4-methyl-2-[methyl(3-methylbutanoyl)amino]-5-[1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]pentanamide
CID 147873256
N-[(2R)-4-amino-1-hydroxy-1-(1-methylimidazol-2-yl)-4-oxobutan-2-yl]octanamide
CID 166884758
1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide
CID 18722795
4-hydroxy-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide
CID 43126825
4-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)pyrrolidine-2-carboxamide
CID 43695422
4-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)pyrrolidine-2-carboxamide
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4-hydroxy-N-(2-imidazol-1-ylcyclopentyl)pyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide (CID 110197323) is (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide is Cn1ccnc1C(=O)N1CCC(N2C[C@H](O)C[C@H]2C(=O)NC2CCCCC2)CC1.
What is the InChIKey of (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is WUJAQBGNOYXEPP-MSOLQXFVSA-N. The full InChI is InChI=1S/C21H33N5O3/c1-24-12-9-22-19(24)21(29)25-10-7-16(8-11-25)26-14-17(27)13-18(26)20(28)23-15-5-3-2-4-6-15/h9,12,15-18,27H,2-8,10-11,13-14H2,1H3,(H,23,28)/t17-,18+/m1/s1.
What are the key properties of (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 0.91, 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-4-hydroxy-1-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110197323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).