N-[2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]ethyl]acetamide

C23H42N4O3 — CID 138685565

IUPACN-[2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCN(C(=O)C(CC(C)C)N2CCN[C@@H](CC(C)C)C2=O)CC1
InChIInChI=1S/C23H42N4O3/c1-16(2)14-20-22(29)27(13-10-25-20)21(15-17(3)4)23(30)26-11-7-19(8-12-26)6-9-24-18(5)28/h16-17,19-21,25H,6-15H2,1-5H3,(H,24,28)/t20-,21?/m0/s1
InChIKeyZGOBIGNWLMRNHP-BGERDNNASA-N
MW422.61 g/mol
LogP2.01
Rot. Bonds9

About N-[2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]ethyl]acetamide

N-[2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]ethyl]acetamide (PubChem CID 138685565) has the molecular formula C23H42N4O3 and a molecular weight of 422.61 g/mol. Its IUPAC name is N-[2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]ethyl]acetamide
PubChem CID138685565
Molecular FormulaC23H42N4O3
Molecular Weight422.61 g/mol
Exact Mass422.33
IUPAC NameN-[2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCN(C(=O)C(CC(C)C)N2CCN[C@@H](CC(C)C)C2=O)CC1
InChIInChI=1S/C23H42N4O3/c1-16(2)14-20-22(29)27(13-10-25-20)21(15-17(3)4)23(30)26-11-7-19(8-12-26)6-9-24-18(5)28/h16-17,19-21,25H,6-15H2,1-5H3,(H,24,28)/t20-,21?/m0/s1
InChIKeyZGOBIGNWLMRNHP-BGERDNNASA-N
XLogP2.01
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.61
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]ethyl]acetamide (CID 138685565) is N-[2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]ethyl]acetamide is CC(=O)NCCC1CCN(C(=O)C(CC(C)C)N2CCN[C@@H](CC(C)C)C2=O)CC1.
What is the InChIKey of N-[2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]ethyl]acetamide?
The InChIKey is ZGOBIGNWLMRNHP-BGERDNNASA-N. The full InChI is InChI=1S/C23H42N4O3/c1-16(2)14-20-22(29)27(13-10-25-20)21(15-17(3)4)23(30)26-11-7-19(8-12-26)6-9-24-18(5)28/h16-17,19-21,25H,6-15H2,1-5H3,(H,24,28)/t20-,21?/m0/s1.
What are the key properties of N-[2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]ethyl]acetamide?
N-[2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]ethyl]acetamide has a molecular weight of 422.61 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]ethyl]acetamide is sourced from PubChem (CID 138685565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).