(2R)-2-cyclohexyl-2-[(2S)-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-N-methylacetamide

C21H38N4O3 — CID 75411411

IUPAC(2R)-2-cyclohexyl-2-[(2S)-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-N-methylacetamide
SMILESCNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)N1CCN(CCOC)CC1
InChIInChI=1S/C21H38N4O3/c1-22-20(26)19(17-7-4-3-5-8-17)25-10-6-9-18(25)21(27)24-13-11-23(12-14-24)15-16-28-2/h17-19H,3-16H2,1-2H3,(H,22,26)/t18-,19+/m0/s1
InChIKeyAOOWQADRATUIKN-RBUKOAKNSA-N
MW394.56 g/mol
LogP0.94
Rot. Bonds7

About (2R)-2-cyclohexyl-2-[(2S)-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-N-methylacetamide

(2R)-2-cyclohexyl-2-[(2S)-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-N-methylacetamide (PubChem CID 75411411) has the molecular formula C21H38N4O3 and a molecular weight of 394.56 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-2-[(2S)-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-2-[(2S)-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-N-methylacetamide
PubChem CID75411411
Molecular FormulaC21H38N4O3
Molecular Weight394.56 g/mol
Exact Mass394.29
IUPAC Name(2R)-2-cyclohexyl-2-[(2S)-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-N-methylacetamide
SMILESCNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)N1CCN(CCOC)CC1
InChIInChI=1S/C21H38N4O3/c1-22-20(26)19(17-7-4-3-5-8-17)25-10-6-9-18(25)21(27)24-13-11-23(12-14-24)15-16-28-2/h17-19H,3-16H2,1-2H3,(H,22,26)/t18-,19+/m0/s1
InChIKeyAOOWQADRATUIKN-RBUKOAKNSA-N
XLogP0.94
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-2-[(2S)-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-N-methylacetamide?
The IUPAC name of (2R)-2-cyclohexyl-2-[(2S)-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-N-methylacetamide (CID 75411411) is (2R)-2-cyclohexyl-2-[(2S)-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for (2R)-2-cyclohexyl-2-[(2S)-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-N-methylacetamide?
The canonical SMILES for (2R)-2-cyclohexyl-2-[(2S)-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-N-methylacetamide is CNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)N1CCN(CCOC)CC1.
What is the InChIKey of (2R)-2-cyclohexyl-2-[(2S)-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-N-methylacetamide?
The InChIKey is AOOWQADRATUIKN-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H38N4O3/c1-22-20(26)19(17-7-4-3-5-8-17)25-10-6-9-18(25)21(27)24-13-11-23(12-14-24)15-16-28-2/h17-19H,3-16H2,1-2H3,(H,22,26)/t18-,19+/m0/s1.
What are the key properties of (2R)-2-cyclohexyl-2-[(2S)-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-N-methylacetamide?
(2R)-2-cyclohexyl-2-[(2S)-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-N-methylacetamide has a molecular weight of 394.56 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-2-[(2S)-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 75411411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).