(2R)-2-(4-chlorophenyl)-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide

C19H27ClN4O2 — CID 75411547

IUPAC(2R)-2-(4-chlorophenyl)-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide
SMILESCNC(=O)[C@@H](c1ccc(Cl)cc1)N1CCC[C@H]1C(=O)N1CCN(C)CC1
InChIInChI=1S/C19H27ClN4O2/c1-21-18(25)17(14-5-7-15(20)8-6-14)24-9-3-4-16(24)19(26)23-12-10-22(2)11-13-23/h5-8,16-17H,3-4,9-13H2,1-2H3,(H,21,25)/t16-,17+/m0/s1
InChIKeyZHONVXJDVALYEF-DLBZAZTESA-N
MW378.90 g/mol
LogP1.37
Rot. Bonds4

About (2R)-2-(4-chlorophenyl)-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide

(2R)-2-(4-chlorophenyl)-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide (PubChem CID 75411547) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide
PubChem CID75411547
Molecular FormulaC19H27ClN4O2
Molecular Weight378.90 g/mol
Exact Mass378.18
IUPAC Name(2R)-2-(4-chlorophenyl)-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide
SMILESCNC(=O)[C@@H](c1ccc(Cl)cc1)N1CCC[C@H]1C(=O)N1CCN(C)CC1
InChIInChI=1S/C19H27ClN4O2/c1-21-18(25)17(14-5-7-15(20)8-6-14)24-9-3-4-16(24)19(26)23-12-10-22(2)11-13-23/h5-8,16-17H,3-4,9-13H2,1-2H3,(H,21,25)/t16-,17+/m0/s1
InChIKeyZHONVXJDVALYEF-DLBZAZTESA-N
XLogP1.37
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide (CID 75411547) is (2R)-2-(4-chlorophenyl)-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide is CNC(=O)[C@@H](c1ccc(Cl)cc1)N1CCC[C@H]1C(=O)N1CCN(C)CC1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide?
The InChIKey is ZHONVXJDVALYEF-DLBZAZTESA-N. The full InChI is InChI=1S/C19H27ClN4O2/c1-21-18(25)17(14-5-7-15(20)8-6-14)24-9-3-4-16(24)19(26)23-12-10-22(2)11-13-23/h5-8,16-17H,3-4,9-13H2,1-2H3,(H,21,25)/t16-,17+/m0/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide?
(2R)-2-(4-chlorophenyl)-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide has a molecular weight of 378.90 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 75411547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).