2-[1-[3-cyclopropyl-2-[(3S)-3-(2,2-dimethylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide

C22H38N4O3 — CID 174230355

IUPAC2-[1-[3-cyclopropyl-2-[(3S)-3-(2,2-dimethylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide
SMILESCC(C)(C)C[C@@H]1NCCN(C(CC2CC2)C(=O)N2CCC(CC(N)=O)CC2)C1=O
InChIInChI=1S/C22H38N4O3/c1-22(2,3)14-17-20(28)26(11-8-24-17)18(12-15-4-5-15)21(29)25-9-6-16(7-10-25)13-19(23)27/h15-18,24H,4-14H2,1-3H3,(H2,23,27)/t17-,18?/m0/s1
InChIKeyWPPLVMIANIHOTR-ZENAZSQFSA-N
MW406.57 g/mol
LogP1.51
Rot. Bonds7

About 2-[1-[3-cyclopropyl-2-[(3S)-3-(2,2-dimethylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide

2-[1-[3-cyclopropyl-2-[(3S)-3-(2,2-dimethylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide (PubChem CID 174230355) has the molecular formula C22H38N4O3 and a molecular weight of 406.57 g/mol. Its IUPAC name is 2-[1-[3-cyclopropyl-2-[(3S)-3-(2,2-dimethylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[3-cyclopropyl-2-[(3S)-3-(2,2-dimethylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide
PubChem CID174230355
Molecular FormulaC22H38N4O3
Molecular Weight406.57 g/mol
Exact Mass406.29
IUPAC Name2-[1-[3-cyclopropyl-2-[(3S)-3-(2,2-dimethylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide
SMILESCC(C)(C)C[C@@H]1NCCN(C(CC2CC2)C(=O)N2CCC(CC(N)=O)CC2)C1=O
InChIInChI=1S/C22H38N4O3/c1-22(2,3)14-17-20(28)26(11-8-24-17)18(12-15-4-5-15)21(29)25-9-6-16(7-10-25)13-19(23)27/h15-18,24H,4-14H2,1-3H3,(H2,23,27)/t17-,18?/m0/s1
InChIKeyWPPLVMIANIHOTR-ZENAZSQFSA-N
XLogP1.51
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2S)-2-[(3S)-3-(2,2-dimethylpropyl)-2-oxopiperazin-1-yl]hexanoyl]piperidin-4-yl]acetamide
CID 138685413
(3S)-1-[(2S)-1-[4-(2-aminoethyl)piperidin-1-yl]-3-cyclopropyl-1-oxopropan-2-yl]-3-(2,2-dimethylpropyl)piperazin-2-one
CID 138685673
2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]-4,4-dimethylpentanoyl]piperidin-4-yl]acetamide
CID 138685324
2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide
CID 138685720
2-[1-[4-methyl-2-[(3S)-2-oxo-3-propylpiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide
CID 138685539
2-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide
CID 138685942
2-[1-[4-methyl-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide
CID 138685348
(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-[(3S)-3-butan-2-yl-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]acetamide
CID 138685458
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-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-(4-methylpentan-2-yl)acetamide
CID 138685787

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-cyclopropyl-2-[(3S)-3-(2,2-dimethylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[3-cyclopropyl-2-[(3S)-3-(2,2-dimethylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide (CID 174230355) is 2-[1-[3-cyclopropyl-2-[(3S)-3-(2,2-dimethylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[3-cyclopropyl-2-[(3S)-3-(2,2-dimethylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[3-cyclopropyl-2-[(3S)-3-(2,2-dimethylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide is CC(C)(C)C[C@@H]1NCCN(C(CC2CC2)C(=O)N2CCC(CC(N)=O)CC2)C1=O.
What is the InChIKey of 2-[1-[3-cyclopropyl-2-[(3S)-3-(2,2-dimethylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide?
The InChIKey is WPPLVMIANIHOTR-ZENAZSQFSA-N. The full InChI is InChI=1S/C22H38N4O3/c1-22(2,3)14-17-20(28)26(11-8-24-17)18(12-15-4-5-15)21(29)25-9-6-16(7-10-25)13-19(23)27/h15-18,24H,4-14H2,1-3H3,(H2,23,27)/t17-,18?/m0/s1.
What are the key properties of 2-[1-[3-cyclopropyl-2-[(3S)-3-(2,2-dimethylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide?
2-[1-[3-cyclopropyl-2-[(3S)-3-(2,2-dimethylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide has a molecular weight of 406.57 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-cyclopropyl-2-[(3S)-3-(2,2-dimethylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 174230355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).