N-(2-butan-2-ylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide

C23H36N4O2 — CID 55364692

IUPACN-(2-butan-2-ylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
SMILESCCC(C)c1ccccc1NC(=O)C(C)N1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C23H36N4O2/c1-4-18(2)20-9-5-6-10-21(20)24-23(29)19(3)26-15-13-25(14-16-26)17-22(28)27-11-7-8-12-27/h5-6,9-10,18-19H,4,7-8,11-17H2,1-3H3,(H,24,29)
InChIKeyIHOLWWCTRKBFCB-UHFFFAOYSA-N
MW400.57 g/mol
LogP2.77
Rot. Bonds7

About N-(2-butan-2-ylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide

N-(2-butan-2-ylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide (PubChem CID 55364692) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
PubChem CID55364692
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC NameN-(2-butan-2-ylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
SMILESCCC(C)c1ccccc1NC(=O)C(C)N1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C23H36N4O2/c1-4-18(2)20-9-5-6-10-21(20)24-23(29)19(3)26-15-13-25(14-16-26)17-22(28)27-11-7-8-12-27/h5-6,9-10,18-19H,4,7-8,11-17H2,1-3H3,(H,24,29)
InChIKeyIHOLWWCTRKBFCB-UHFFFAOYSA-N
XLogP2.77
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetylphenyl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
CID 78818972
(2S)-2-(4-benzylpiperazin-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]propanamide
CID 9265096
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30735580
(2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide
CID 30632840
(2S)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide
CID 30632833
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide
CID 30738137
N-(2,5-dimethylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 45281660
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 8582689
(2S)-N-(2-bromo-4-methylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 30739088
(2S)-N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 8774340
(2S)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 8774334
2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide (CID 55364692) is N-(2-butan-2-ylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide is CCC(C)c1ccccc1NC(=O)C(C)N1CCN(CC(=O)N2CCCC2)CC1.
What is the InChIKey of N-(2-butan-2-ylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide?
The InChIKey is IHOLWWCTRKBFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-4-18(2)20-9-5-6-10-21(20)24-23(29)19(3)26-15-13-25(14-16-26)17-22(28)27-11-7-8-12-27/h5-6,9-10,18-19H,4,7-8,11-17H2,1-3H3,(H,24,29).
What are the key properties of N-(2-butan-2-ylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide?
N-(2-butan-2-ylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide has a molecular weight of 400.57 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 55364692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).