(3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(2-methoxyacetyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide

C21H37N5O5 — CID 7164956

IUPAC(3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(2-methoxyacetyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
SMILESCOCC(=O)N1CCN(C(=O)NC(C)C)C[C@@H]1C(=O)N[C@@H](CC1CCCCC1)C(N)=O
InChIInChI=1S/C21H37N5O5/c1-14(2)23-21(30)25-9-10-26(18(27)13-31-3)17(12-25)20(29)24-16(19(22)28)11-15-7-5-4-6-8-15/h14-17H,4-13H2,1-3H3,(H2,22,28)(H,23,30)(H,24,29)/t16-,17+/m0/s1
InChIKeyHHXWGUIZXANLLI-DLBZAZTESA-N
MW439.56 g/mol
LogP0.20
Rot. Bonds8

About (3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(2-methoxyacetyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide

(3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(2-methoxyacetyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide (PubChem CID 7164956) has the molecular formula C21H37N5O5 and a molecular weight of 439.56 g/mol. Its IUPAC name is (3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(2-methoxyacetyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(2-methoxyacetyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
PubChem CID7164956
Molecular FormulaC21H37N5O5
Molecular Weight439.56 g/mol
Exact Mass439.28
IUPAC Name(3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(2-methoxyacetyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
SMILESCOCC(=O)N1CCN(C(=O)NC(C)C)C[C@@H]1C(=O)N[C@@H](CC1CCCCC1)C(N)=O
InChIInChI=1S/C21H37N5O5/c1-14(2)23-21(30)25-9-10-26(18(27)13-31-3)17(12-25)20(29)24-16(19(22)28)11-15-7-5-4-6-8-15/h14-17H,4-13H2,1-3H3,(H2,22,28)(H,23,30)(H,24,29)/t16-,17+/m0/s1
InChIKeyHHXWGUIZXANLLI-DLBZAZTESA-N
XLogP0.20
TPSA134.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(2-methoxyacetyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-Cyclohexyl-ureido)-cyclohexanecarboxylic acid (3-morpholin-4-yl-propyl)-amide
CID 648415
Morpholine-4-carboxylic acid {1-[(cyano-dimethyl-methyl)-carbamoyl]-2-cyclohexyl-ethyl}-amide
CID 10893503
methyl (2R)-1-(cyclohexanecarbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate
CID 7161630
(2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N,4-N-di(propan-2-yl)piperazine-1,2,4-tricarboxamide
CID 7164976
(3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(cyclohexanecarbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
CID 7164950
(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(morpholine-4-carbonyl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 7673729
(2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-propan-2-ylpiperazine-1,2-dicarboxamide
CID 11912140
(2R)-1-(cyclohexanecarbonyl)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 7682727
1-(cyclohexylcarbamoylamino)-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 3230436
(3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(piperidine-4-carbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
CID 7164966
(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

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(2-methoxyacetyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide?
The IUPAC name of (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) is (3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(2-methoxyacetyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(2-methoxyacetyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(2-methoxyacetyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide is COCC(=O)N1CCN(C(=O)NC(C)C)C[C@@H]1C(=O)N[C@@H](CC1CCCCC1)C(N)=O.
What is the InChIKey of (3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(2-methoxyacetyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide?
The InChIKey is HHXWGUIZXANLLI-DLBZAZTESA-N. The full InChI is InChI=1S/C21H37N5O5/c1-14(2)23-21(30)25-9-10-26(18(27)13-31-3)17(12-25)20(29)24-16(19(22)28)11-15-7-5-4-6-8-15/h14-17H,4-13H2,1-3H3,(H2,22,28)(H,23,30)(H,24,29)/t16-,17+/m0/s1.
What are the key properties of (3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(2-methoxyacetyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide?
(3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(2-methoxyacetyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide has a molecular weight of 439.56 g/mol, XLogP of 0.20, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(2-methoxyacetyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide is sourced from PubChem (CID 7164956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).