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

C19H34N4O2 — CID 75411405

IUPAC(2R)-2-cyclohexyl-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide
SMILESCNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)N1CCN(C)CC1
InChIInChI=1S/C19H34N4O2/c1-20-18(24)17(15-7-4-3-5-8-15)23-10-6-9-16(23)19(25)22-13-11-21(2)12-14-22/h15-17H,3-14H2,1-2H3,(H,20,24)/t16-,17+/m0/s1
InChIKeyPKQJTWNRVQAHPA-DLBZAZTESA-N
MW350.51 g/mol
LogP0.92
Rot. Bonds4

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

(2R)-2-cyclohexyl-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide (PubChem CID 75411405) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide
PubChem CID75411405
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC Name(2R)-2-cyclohexyl-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide
SMILESCNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)N1CCN(C)CC1
InChIInChI=1S/C19H34N4O2/c1-20-18(24)17(15-7-4-3-5-8-15)23-10-6-9-16(23)19(25)22-13-11-21(2)12-14-22/h15-17H,3-14H2,1-2H3,(H,20,24)/t16-,17+/m0/s1
InChIKeyPKQJTWNRVQAHPA-DLBZAZTESA-N
XLogP0.92
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Posatirelin
CID 71230
1-(2-Amino-3,3-dicyclohexyl-propionyl)-pyrrolidine-2-carboxylic acid (4-amino-cyclohexylmethyl)-amide
CID 10367012
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide
CID 11176463
N-[(2S)-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-3-cyclohexyl-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 155529699
N-[1-({2-[butyl(methyl)amino]ethyl}amino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexanecarboxamide
CID 16187659
(S)-1-((S)-2-Amino-3,3-dicyclohexyl-propionyl)-pyrrolidine-2-carboxylic acid (4-amino-cyclohexylmethyl)-amide
CID 10790153
1-[2-(1-Cyclohexanecarbonyl-piperidin-4-ylamino)-acetyl]-pyrrolidine-2-carbonitrile
CID 10904132
Cyclohexanecarboxylic acid {4-[2-(2-cyano-pyrrolidin-1-yl)-2-oxo-ethylamino]-cyclohexyl}-amide
CID 11089704
5-Oxo-L-prolyl-3-cyclohexyl-L-alanyl-L-prolinamide
CID 13312519
Cyclohexyl(glycinyl)-prolinyl-valinyl-L-boroproline
CID 54580221
(2S)-1-butanoyl-N-[(2S)-3-cyclohexyl-1-[[1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[3-[[(2S)-1-(dimethylamino)propan-2-yl]amino]-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxodecan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 153581519
Proline scaffold, 34
CID 42618131

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of (2R)-2-cyclohexyl-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide (CID 75411405) is (2R)-2-cyclohexyl-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for (2R)-2-cyclohexyl-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for (2R)-2-cyclohexyl-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide is CNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)N1CCN(C)CC1.
What is the InChIKey of (2R)-2-cyclohexyl-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide?
The InChIKey is PKQJTWNRVQAHPA-DLBZAZTESA-N. The full InChI is InChI=1S/C19H34N4O2/c1-20-18(24)17(15-7-4-3-5-8-15)23-10-6-9-16(23)19(25)22-13-11-21(2)12-14-22/h15-17H,3-14H2,1-2H3,(H,20,24)/t16-,17+/m0/s1.
What are the key properties of (2R)-2-cyclohexyl-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide?
(2R)-2-cyclohexyl-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide has a molecular weight of 350.51 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 75411405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).