2-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide

C18H32N4O3 — CID 138685942

IUPAC2-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide
SMILESCC(C)CC1NCCN(C(C)C(=O)N2CCC(CC(N)=O)CC2)C1=O
InChIInChI=1S/C18H32N4O3/c1-12(2)10-15-18(25)22(9-6-20-15)13(3)17(24)21-7-4-14(5-8-21)11-16(19)23/h12-15,20H,4-11H2,1-3H3,(H2,19,23)
InChIKeyZQGIWUSFMQXKBS-UHFFFAOYSA-N
MW352.48 g/mol
LogP0.34
Rot. Bonds6

About 2-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide

2-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide (PubChem CID 138685942) has the molecular formula C18H32N4O3 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide
PubChem CID138685942
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC Name2-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide
SMILESCC(C)CC1NCCN(C(C)C(=O)N2CCC(CC(N)=O)CC2)C1=O
InChIInChI=1S/C18H32N4O3/c1-12(2)10-15-18(25)22(9-6-20-15)13(3)17(24)21-7-4-14(5-8-21)11-16(19)23/h12-15,20H,4-11H2,1-3H3,(H2,19,23)
InChIKeyZQGIWUSFMQXKBS-UHFFFAOYSA-N
XLogP0.34
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[4-methyl-2-[(3S)-2-oxo-3-propylpiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide
CID 138685539
(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-[(2S)-8-[(2S)-4-[(2S)-1-[4-(2-aminoethyl)piperidin-1-yl]-8-[(2S)-4-[(2S)-1-[4-(2-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-oxopiperazin-2-yl]-4,7-dimethyl-1-oxooctan-2-yl]-3-oxopiperazin-2-yl]-4,7-dimethyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]octanoyl]piperidin-4-yl]acetic acid
CID 166659422
2-[1-[3-cyclopropyl-2-[(3S)-3-(2,2-dimethylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide
CID 174230355
2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide
CID 138685720
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-[4-methyl-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide
CID 138685348
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]-N-(4-methylpentan-2-yl)acetamide
CID 138685787
N-(3-methylbutan-2-yl)-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide
CID 138685933
N-methyl-N-(3-methylbutyl)-2-[1-[(2S)-3-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]butanoyl]piperidin-4-yl]acetamide
CID 138685784

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide (CID 138685942) is 2-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide is CC(C)CC1NCCN(C(C)C(=O)N2CCC(CC(N)=O)CC2)C1=O.
What is the InChIKey of 2-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide?
The InChIKey is ZQGIWUSFMQXKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O3/c1-12(2)10-15-18(25)22(9-6-20-15)13(3)17(24)21-7-4-14(5-8-21)11-16(19)23/h12-15,20H,4-11H2,1-3H3,(H2,19,23).
What are the key properties of 2-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide?
2-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 138685942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).