(2R)-1-(cyclohexanecarbonyl)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide

C20H32N4O5 — CID 7682727

IUPAC(2R)-1-(cyclohexanecarbonyl)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
SMILESCOCC(=O)N1CCN(C(=O)C2CCCCC2)[C@@H](C(=O)N[C@H]2CCCNC2=O)C1
InChIInChI=1S/C20H32N4O5/c1-29-13-17(25)23-10-11-24(20(28)14-6-3-2-4-7-14)16(12-23)19(27)22-15-8-5-9-21-18(15)26/h14-16H,2-13H2,1H3,(H,21,26)(H,22,27)/t15-,16+/m0/s1
InChIKeyVVNAFGBQQPVANF-JKSUJKDBSA-N
MW408.50 g/mol
LogP-0.35
Rot. Bonds5

About (2R)-1-(cyclohexanecarbonyl)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide

(2R)-1-(cyclohexanecarbonyl)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide (PubChem CID 7682727) has the molecular formula C20H32N4O5 and a molecular weight of 408.50 g/mol. Its IUPAC name is (2R)-1-(cyclohexanecarbonyl)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(cyclohexanecarbonyl)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
PubChem CID7682727
Molecular FormulaC20H32N4O5
Molecular Weight408.50 g/mol
Exact Mass408.24
IUPAC Name(2R)-1-(cyclohexanecarbonyl)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
SMILESCOCC(=O)N1CCN(C(=O)C2CCCCC2)[C@@H](C(=O)N[C@H]2CCCNC2=O)C1
InChIInChI=1S/C20H32N4O5/c1-29-13-17(25)23-10-11-24(20(28)14-6-3-2-4-7-14)16(12-23)19(27)22-15-8-5-9-21-18(15)26/h14-16H,2-13H2,1H3,(H,21,26)(H,22,27)/t15-,16+/m0/s1
InChIKeyVVNAFGBQQPVANF-JKSUJKDBSA-N
XLogP-0.35
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-1-(cyclohexanecarbonyl)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide with MolForge

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Related Compounds

4-methyl-N-(3-methyl-1-{[3-(morpholin-4-yl)propyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 3243058
2-[1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]-N-[3-(4-morpholinyl)propyl]acetamide
CID 24819132
(2S,4R)-4-(2-cyclohexylethyl)-N-(2-morpholin-4-ylethyl)piperidine-2-carboxamide
CID 156019194
(2S,4R)-4-(2-cyclohexylethyl)-N-(3-morpholin-4-ylpropyl)piperidine-2-carboxamide
CID 156020179
N-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220723
(2R)-1-acetyl-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 11912128
(3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(2-methoxyacetyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
CID 7164956
(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(morpholine-4-carbonyl)piperazine-2-carboxamide
CID 7673727
(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 11887609
2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 24719273
2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 24719971
2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 24719982

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cyclohexanecarbonyl)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
The IUPAC name of (2R)-1-(cyclohexanecarbonyl)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide (CID 7682727) is (2R)-1-(cyclohexanecarbonyl)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-(cyclohexanecarbonyl)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
The canonical SMILES for (2R)-1-(cyclohexanecarbonyl)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide is COCC(=O)N1CCN(C(=O)C2CCCCC2)[C@@H](C(=O)N[C@H]2CCCNC2=O)C1.
What is the InChIKey of (2R)-1-(cyclohexanecarbonyl)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
The InChIKey is VVNAFGBQQPVANF-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H32N4O5/c1-29-13-17(25)23-10-11-24(20(28)14-6-3-2-4-7-14)16(12-23)19(27)22-15-8-5-9-21-18(15)26/h14-16H,2-13H2,1H3,(H,21,26)(H,22,27)/t15-,16+/m0/s1.
What are the key properties of (2R)-1-(cyclohexanecarbonyl)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
(2R)-1-(cyclohexanecarbonyl)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide has a molecular weight of 408.50 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(cyclohexanecarbonyl)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide is sourced from PubChem (CID 7682727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).