methyl 2-[(2R,6S)-2,6-bis(cyclohexylcarbamoyl)piperidin-1-yl]acetate

C22H37N3O4 — CID 71604771

IUPACmethyl 2-[(2R,6S)-2,6-bis(cyclohexylcarbamoyl)piperidin-1-yl]acetate
SMILESCOC(=O)CN1[C@@H](C(=O)NC2CCCCC2)CCC[C@H]1C(=O)NC1CCCCC1
InChIInChI=1S/C22H37N3O4/c1-29-20(26)15-25-18(21(27)23-16-9-4-2-5-10-16)13-8-14-19(25)22(28)24-17-11-6-3-7-12-17/h16-19H,2-15H2,1H3,(H,23,27)(H,24,28)/t18-,19+
InChIKeyJJHDUBTVGGQZIW-KDURUIRLSA-N
MW407.56 g/mol
LogP2.28
Rot. Bonds6

About methyl 2-[(2R,6S)-2,6-bis(cyclohexylcarbamoyl)piperidin-1-yl]acetate

methyl 2-[(2R,6S)-2,6-bis(cyclohexylcarbamoyl)piperidin-1-yl]acetate (PubChem CID 71604771) has the molecular formula C22H37N3O4 and a molecular weight of 407.56 g/mol. Its IUPAC name is methyl 2-[(2R,6S)-2,6-bis(cyclohexylcarbamoyl)piperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,6S)-2,6-bis(cyclohexylcarbamoyl)piperidin-1-yl]acetate
PubChem CID71604771
Molecular FormulaC22H37N3O4
Molecular Weight407.56 g/mol
Exact Mass407.28
IUPAC Namemethyl 2-[(2R,6S)-2,6-bis(cyclohexylcarbamoyl)piperidin-1-yl]acetate
SMILESCOC(=O)CN1[C@@H](C(=O)NC2CCCCC2)CCC[C@H]1C(=O)NC1CCCCC1
InChIInChI=1S/C22H37N3O4/c1-29-20(26)15-25-18(21(27)23-16-9-4-2-5-10-16)13-8-14-19(25)22(28)24-17-11-6-3-7-12-17/h16-19H,2-15H2,1H3,(H,23,27)(H,24,28)/t18-,19+
InChIKeyJJHDUBTVGGQZIW-KDURUIRLSA-N
XLogP2.28
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2R,6S)-2,6-bis(cyclohexylcarbamoyl)piperidin-1-yl]acetate with MolForge

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Related Compounds

methyl 2-[[2-(cycloheptylamino)-2-oxoethyl]amino]acetate
CID 60687528
(2R)-N-cyclohexyl-1-methylsulfonylpiperidine-2-carboxamide
CID 31407568
methyl N-cyclohexadecylcarbamate
CID 131977131
(3R)-3-(cyclohexylcarbamoyl)-9-hydroxy-2-(2-methoxy-2-oxoethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 164671643
N-cyclopropyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 60733576
methyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate
CID 83999544
methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]acetate
CID 55028611
(2S)-1-N-cyclohexyl-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide
CID 1445867
N-cyclohexylaziridine-2-carboxamide;methanol
CID 142164431
(2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110285757
methyl 6-(cyclopentylamino)-6-oxohexanoate
CID 162372122
N-cyclodecylcyclododecanecarboxamide
CID 135182352

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,6S)-2,6-bis(cyclohexylcarbamoyl)piperidin-1-yl]acetate?
The IUPAC name of methyl 2-[(2R,6S)-2,6-bis(cyclohexylcarbamoyl)piperidin-1-yl]acetate (CID 71604771) is methyl 2-[(2R,6S)-2,6-bis(cyclohexylcarbamoyl)piperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,6S)-2,6-bis(cyclohexylcarbamoyl)piperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(2R,6S)-2,6-bis(cyclohexylcarbamoyl)piperidin-1-yl]acetate is COC(=O)CN1[C@@H](C(=O)NC2CCCCC2)CCC[C@H]1C(=O)NC1CCCCC1.
What is the InChIKey of methyl 2-[(2R,6S)-2,6-bis(cyclohexylcarbamoyl)piperidin-1-yl]acetate?
The InChIKey is JJHDUBTVGGQZIW-KDURUIRLSA-N. The full InChI is InChI=1S/C22H37N3O4/c1-29-20(26)15-25-18(21(27)23-16-9-4-2-5-10-16)13-8-14-19(25)22(28)24-17-11-6-3-7-12-17/h16-19H,2-15H2,1H3,(H,23,27)(H,24,28)/t18-,19+.
What are the key properties of methyl 2-[(2R,6S)-2,6-bis(cyclohexylcarbamoyl)piperidin-1-yl]acetate?
methyl 2-[(2R,6S)-2,6-bis(cyclohexylcarbamoyl)piperidin-1-yl]acetate has a molecular weight of 407.56 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,6S)-2,6-bis(cyclohexylcarbamoyl)piperidin-1-yl]acetate is sourced from PubChem (CID 71604771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).