3-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide

C21H34N4O2 — CID 24589378

IUPAC3-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide
SMILESCC(C)CNC(=O)CN1CCN(CCC(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C21H34N4O2/c1-17(2)15-22-21(27)16-25-13-11-24(12-14-25)10-9-20(26)23-18(3)19-7-5-4-6-8-19/h4-8,17-18H,9-16H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyRHORMXDUQMXNRI-UHFFFAOYSA-N
MW374.53 g/mol
LogP1.64
Rot. Bonds9

About 3-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide

3-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide (PubChem CID 24589378) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 3-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide
PubChem CID24589378
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name3-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide
SMILESCC(C)CNC(=O)CN1CCN(CCC(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C21H34N4O2/c1-17(2)15-22-21(27)16-25-13-11-24(12-14-25)10-9-20(26)23-18(3)19-7-5-4-6-8-19/h4-8,17-18H,9-16H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyRHORMXDUQMXNRI-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(2,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 30737553
N-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 18125323
3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide
CID 24589341
3-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 24589387
N-(1-phenylethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 24588722
2-[7-(carboxymethyl)-4-[2-oxo-2-(1-phenylethylamino)ethyl]-10-[2-[[2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)acetyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 122380737
2-[4,7-bis[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 11285246
3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide
CID 33177312
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
N-butyl-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30653763
N-butyl-2-[4-[2-oxo-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30653757
2-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 18133495

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide (CID 24589378) is 3-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide is CC(C)CNC(=O)CN1CCN(CCC(=O)NC(C)c2ccccc2)CC1.
What is the InChIKey of 3-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide?
The InChIKey is RHORMXDUQMXNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-17(2)15-22-21(27)16-25-13-11-24(12-14-25)10-9-20(26)23-18(3)19-7-5-4-6-8-19/h4-8,17-18H,9-16H2,1-3H3,(H,22,27)(H,23,26).
What are the key properties of 3-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide?
3-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide has a molecular weight of 374.53 g/mol, XLogP of 1.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 24589378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).