(2S)-2-[3-methyl-4-[(2S)-4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]-2-oxopiperazin-1-yl]pentanediamide

C24H42N6O5 — CID 129190936

IUPAC(2S)-2-[3-methyl-4-[(2S)-4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]-2-oxopiperazin-1-yl]pentanediamide
SMILESCC(C)CC1NCCN([C@@H](CC(C)C)C(=O)N2CCN([C@@H](CCC(N)=O)C(N)=O)C(=O)C2C)C1=O
InChIInChI=1S/C24H42N6O5/c1-14(2)12-17-23(34)29(9-8-27-17)19(13-15(3)4)24(35)28-10-11-30(22(33)16(28)5)18(21(26)32)6-7-20(25)31/h14-19,27H,6-13H2,1-5H3,(H2,25,31)(H2,26,32)/t16?,17?,18-,19-/m0/s1
InChIKeyFMTAQWMOLHFOLT-BTRQGYIVSA-N
MW494.64 g/mol
LogP-0.57
Rot. Bonds11

About (2S)-2-[3-methyl-4-[(2S)-4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]-2-oxopiperazin-1-yl]pentanediamide

(2S)-2-[3-methyl-4-[(2S)-4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]-2-oxopiperazin-1-yl]pentanediamide (PubChem CID 129190936) has the molecular formula C24H42N6O5 and a molecular weight of 494.64 g/mol. Its IUPAC name is (2S)-2-[3-methyl-4-[(2S)-4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]-2-oxopiperazin-1-yl]pentanediamide.

Molecular Properties

Compound Name(2S)-2-[3-methyl-4-[(2S)-4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]-2-oxopiperazin-1-yl]pentanediamide
PubChem CID129190936
Molecular FormulaC24H42N6O5
Molecular Weight494.64 g/mol
Exact Mass494.32
IUPAC Name(2S)-2-[3-methyl-4-[(2S)-4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]-2-oxopiperazin-1-yl]pentanediamide
SMILESCC(C)CC1NCCN([C@@H](CC(C)C)C(=O)N2CCN([C@@H](CCC(N)=O)C(N)=O)C(=O)C2C)C1=O
InChIInChI=1S/C24H42N6O5/c1-14(2)12-17-23(34)29(9-8-27-17)19(13-15(3)4)24(35)28-10-11-30(22(33)16(28)5)18(21(26)32)6-7-20(25)31/h14-19,27H,6-13H2,1-5H3,(H2,25,31)(H2,26,32)/t16?,17?,18-,19-/m0/s1
InChIKeyFMTAQWMOLHFOLT-BTRQGYIVSA-N
XLogP-0.57
TPSA159.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-methyl-4-[(2S)-4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]-2-oxopiperazin-1-yl]pentanediamide?
The IUPAC name of (2S)-2-[3-methyl-4-[(2S)-4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]-2-oxopiperazin-1-yl]pentanediamide (CID 129190936) is (2S)-2-[3-methyl-4-[(2S)-4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]-2-oxopiperazin-1-yl]pentanediamide.
What is the SMILES notation for (2S)-2-[3-methyl-4-[(2S)-4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]-2-oxopiperazin-1-yl]pentanediamide?
The canonical SMILES for (2S)-2-[3-methyl-4-[(2S)-4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]-2-oxopiperazin-1-yl]pentanediamide is CC(C)CC1NCCN([C@@H](CC(C)C)C(=O)N2CCN([C@@H](CCC(N)=O)C(N)=O)C(=O)C2C)C1=O.
What is the InChIKey of (2S)-2-[3-methyl-4-[(2S)-4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]-2-oxopiperazin-1-yl]pentanediamide?
The InChIKey is FMTAQWMOLHFOLT-BTRQGYIVSA-N. The full InChI is InChI=1S/C24H42N6O5/c1-14(2)12-17-23(34)29(9-8-27-17)19(13-15(3)4)24(35)28-10-11-30(22(33)16(28)5)18(21(26)32)6-7-20(25)31/h14-19,27H,6-13H2,1-5H3,(H2,25,31)(H2,26,32)/t16?,17?,18-,19-/m0/s1.
What are the key properties of (2S)-2-[3-methyl-4-[(2S)-4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]-2-oxopiperazin-1-yl]pentanediamide?
(2S)-2-[3-methyl-4-[(2S)-4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]-2-oxopiperazin-1-yl]pentanediamide has a molecular weight of 494.64 g/mol, XLogP of -0.57, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-methyl-4-[(2S)-4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]-2-oxopiperazin-1-yl]pentanediamide is sourced from PubChem (CID 129190936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).