N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide

C21H32N4O2 — CID 46697935

IUPACN-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide
SMILESCC(NC(=O)C(C)N1CCN(C(C)C(=O)NC2CC2)CC1)c1ccccc1
InChIInChI=1S/C21H32N4O2/c1-15(18-7-5-4-6-8-18)22-20(26)16(2)24-11-13-25(14-12-24)17(3)21(27)23-19-9-10-19/h4-8,15-17,19H,9-14H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyJRQHAVFGQHRSHL-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.54
Rot. Bonds7

About N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide

N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide (PubChem CID 46697935) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide
PubChem CID46697935
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide
SMILESCC(NC(=O)C(C)N1CCN(C(C)C(=O)NC2CC2)CC1)c1ccccc1
InChIInChI=1S/C21H32N4O2/c1-15(18-7-5-4-6-8-18)22-20(26)16(2)24-11-13-25(14-12-24)17(3)21(27)23-19-9-10-19/h4-8,15-17,19H,9-14H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyJRQHAVFGQHRSHL-UHFFFAOYSA-N
XLogP1.54
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazine-1-carboxamide
CID 112818881
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylethyl)propanamide
CID 75810047
2-morpholin-4-yl-N-(1-phenylethyl)propanamide
CID 42913456
(2R)-2-morpholin-4-yl-N-[(1S)-1-phenylethyl]propanamide
CID 27067773
(2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40940116
2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)propanamide
CID 78787136
2-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)propanamide
CID 46800680
2-[3-(methylamino)piperidin-1-yl]-N-(1-phenylethyl)propanamide;hydrochloride
CID 119920377
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 40792883
(2R)-N-[(1S)-1-phenylethyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 27098394
N-benzhydryl-2-(4-hydroxypiperidin-1-yl)propanamide
CID 51167538

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide (CID 46697935) is N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide is CC(NC(=O)C(C)N1CCN(C(C)C(=O)NC2CC2)CC1)c1ccccc1.
What is the InChIKey of N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide?
The InChIKey is JRQHAVFGQHRSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-15(18-7-5-4-6-8-18)22-20(26)16(2)24-11-13-25(14-12-24)17(3)21(27)23-19-9-10-19/h4-8,15-17,19H,9-14H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide?
N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide has a molecular weight of 372.51 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide is sourced from PubChem (CID 46697935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).