2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide

C21H34N4O2 — CID 134045501

IUPAC2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
SMILESCCC(C)NC(=O)CN1CCN(CC(=O)Nc2cccc(C(C)C)c2)CC1
InChIInChI=1S/C21H34N4O2/c1-5-17(4)22-20(26)14-24-9-11-25(12-10-24)15-21(27)23-19-8-6-7-18(13-19)16(2)3/h6-8,13,16-17H,5,9-12,14-15H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyHCSMVCKAUISQTK-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.28
Rot. Bonds8

About 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide

2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 134045501) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
PubChem CID134045501
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
SMILESCCC(C)NC(=O)CN1CCN(CC(=O)Nc2cccc(C(C)C)c2)CC1
InChIInChI=1S/C21H34N4O2/c1-5-17(4)22-20(26)14-24-9-11-25(12-10-24)15-21(27)23-19-8-6-7-18(13-19)16(2)3/h6-8,13,16-17H,5,9-12,14-15H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyHCSMVCKAUISQTK-UHFFFAOYSA-N
XLogP2.28
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperazin-1-yl-N-(3-propan-2-ylphenyl)acetamide
CID 29009163
N-cyclopropyl-2-[4-[2-oxo-2-(3-propan-2-ylanilino)ethyl]piperazin-1-yl]acetamide
CID 30670633
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 60768456
2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 43348732
2-[(3R)-3-methylpiperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 104975859
2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide
CID 8902107
2-(3-aminopiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 61295961
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 114394898
2-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 9434323
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814595
3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 21491914
3-oxo-3-(3-propan-2-ylanilino)propanoic acid
CID 62230571

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide (CID 134045501) is 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide is CCC(C)NC(=O)CN1CCN(CC(=O)Nc2cccc(C(C)C)c2)CC1.
What is the InChIKey of 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide?
The InChIKey is HCSMVCKAUISQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-5-17(4)22-20(26)14-24-9-11-25(12-10-24)15-21(27)23-19-8-6-7-18(13-19)16(2)3/h6-8,13,16-17H,5,9-12,14-15H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide?
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 374.53 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 134045501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).