(2R)-2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethylphenyl)propanamide

C21H34N4O2 — CID 8774372

IUPAC(2R)-2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethylphenyl)propanamide
SMILESCCCCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccc(CC)cc2)CC1
InChIInChI=1S/C21H34N4O2/c1-4-6-11-22-20(26)16-24-12-14-25(15-13-24)17(3)21(27)23-19-9-7-18(5-2)8-10-19/h7-10,17H,4-6,11-16H2,1-3H3,(H,22,26)(H,23,27)/t17-/m1/s1
InChIKeyKNTBGANHHIIUMD-QGZVFWFLSA-N
MW374.53 g/mol
LogP2.11
Rot. Bonds9

About (2R)-2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethylphenyl)propanamide

(2R)-2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethylphenyl)propanamide (PubChem CID 8774372) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is (2R)-2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethylphenyl)propanamide
PubChem CID8774372
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name(2R)-2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethylphenyl)propanamide
SMILESCCCCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccc(CC)cc2)CC1
InChIInChI=1S/C21H34N4O2/c1-4-6-11-22-20(26)16-24-12-14-25(15-13-24)17(3)21(27)23-19-9-7-18(5-2)8-10-19/h7-10,17H,4-6,11-16H2,1-3H3,(H,22,26)(H,23,27)/t17-/m1/s1
InChIKeyKNTBGANHHIIUMD-QGZVFWFLSA-N
XLogP2.11
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-chlorophenyl)propanamide
CID 43030846
2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethylphenyl)propanamide
CID 17446120
2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 46820727
(2S)-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9435992
(2R)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 8774532
2-[4-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 60513111
N-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 16789447
2-[4-[2-(3-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 55841889
(2R)-N-(4-fluorophenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 8774104
(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 30739585
N-(4-methoxyphenyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide
CID 55470324
N-(4-ethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196973

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethylphenyl)propanamide?
The IUPAC name of (2R)-2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethylphenyl)propanamide (CID 8774372) is (2R)-2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethylphenyl)propanamide?
The canonical SMILES for (2R)-2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethylphenyl)propanamide is CCCCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccc(CC)cc2)CC1.
What is the InChIKey of (2R)-2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethylphenyl)propanamide?
The InChIKey is KNTBGANHHIIUMD-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-4-6-11-22-20(26)16-24-12-14-25(15-13-24)17(3)21(27)23-19-9-7-18(5-2)8-10-19/h7-10,17H,4-6,11-16H2,1-3H3,(H,22,26)(H,23,27)/t17-/m1/s1.
What are the key properties of (2R)-2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethylphenyl)propanamide?
(2R)-2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethylphenyl)propanamide has a molecular weight of 374.53 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 8774372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).