2-[1-[2-[(3S)-3-butan-2-yl-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]acetamide

C21H38N4O3 — CID 138685458

IUPAC2-[1-[2-[(3S)-3-butan-2-yl-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]acetamide
SMILESCCC(C)[C@@H]1NCCN(C(CC(C)C)C(=O)N2CCC(CC(N)=O)CC2)C1=O
InChIInChI=1S/C21H38N4O3/c1-5-15(4)19-21(28)25(11-8-23-19)17(12-14(2)3)20(27)24-9-6-16(7-10-24)13-18(22)26/h14-17,19,23H,5-13H2,1-4H3,(H2,22,26)/t15?,17?,19-/m0/s1
InChIKeyVOEAARHUJSZPFU-KVWWFHCMSA-N
MW394.56 g/mol
LogP1.36
Rot. Bonds8

About 2-[1-[2-[(3S)-3-butan-2-yl-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]acetamide

2-[1-[2-[(3S)-3-butan-2-yl-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]acetamide (PubChem CID 138685458) has the molecular formula C21H38N4O3 and a molecular weight of 394.56 g/mol. Its IUPAC name is 2-[1-[2-[(3S)-3-butan-2-yl-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[2-[(3S)-3-butan-2-yl-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]acetamide
PubChem CID138685458
Molecular FormulaC21H38N4O3
Molecular Weight394.56 g/mol
Exact Mass394.29
IUPAC Name2-[1-[2-[(3S)-3-butan-2-yl-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]acetamide
SMILESCCC(C)[C@@H]1NCCN(C(CC(C)C)C(=O)N2CCC(CC(N)=O)CC2)C1=O
InChIInChI=1S/C21H38N4O3/c1-5-15(4)19-21(28)25(11-8-23-19)17(12-14(2)3)20(27)24-9-6-16(7-10-24)13-18(22)26/h14-17,19,23H,5-13H2,1-4H3,(H2,22,26)/t15?,17?,19-/m0/s1
InChIKeyVOEAARHUJSZPFU-KVWWFHCMSA-N
XLogP1.36
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[4-methyl-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide
CID 138685348
2-[1-[4-methyl-2-[(3S)-2-oxo-3-propylpiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide
CID 138685539
2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide
CID 138685720
(3S)-1-[4-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685832
2-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide
CID 138685942
propan-2-yl 2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetate
CID 138749176
(3S)-1-[4-methyl-1-oxo-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685320
2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]-4,4-dimethylpentanoyl]piperidin-4-yl]acetamide
CID 138685324
2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetonitrile
CID 138685836
2-[1-[3-cyclopropyl-2-[(3S)-3-(2,2-dimethylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide
CID 174230355
2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetonitrile
CID 138685835
2-[1-[(2S)-2-[(3S)-3-(2,2-dimethylpropyl)-2-oxopiperazin-1-yl]hexanoyl]piperidin-4-yl]acetamide
CID 138685413

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(3S)-3-butan-2-yl-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[2-[(3S)-3-butan-2-yl-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]acetamide (CID 138685458) is 2-[1-[2-[(3S)-3-butan-2-yl-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[2-[(3S)-3-butan-2-yl-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[2-[(3S)-3-butan-2-yl-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]acetamide is CCC(C)[C@@H]1NCCN(C(CC(C)C)C(=O)N2CCC(CC(N)=O)CC2)C1=O.
What is the InChIKey of 2-[1-[2-[(3S)-3-butan-2-yl-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]acetamide?
The InChIKey is VOEAARHUJSZPFU-KVWWFHCMSA-N. The full InChI is InChI=1S/C21H38N4O3/c1-5-15(4)19-21(28)25(11-8-23-19)17(12-14(2)3)20(27)24-9-6-16(7-10-24)13-18(22)26/h14-17,19,23H,5-13H2,1-4H3,(H2,22,26)/t15?,17?,19-/m0/s1.
What are the key properties of 2-[1-[2-[(3S)-3-butan-2-yl-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]acetamide?
2-[1-[2-[(3S)-3-butan-2-yl-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]acetamide has a molecular weight of 394.56 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(3S)-3-butan-2-yl-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 138685458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).