2-[4-[2-(2,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide

C26H36N4O2 — CID 30737553

IUPAC2-[4-[2-(2,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1CCN(CC(=O)NCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H36N4O2/c1-21(2)17-27-25(31)19-29-13-15-30(16-14-29)20-26(32)28-18-24(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,21,24H,13-20H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyCRSIDRODMRRISR-UHFFFAOYSA-N
MW436.60 g/mol
LogP2.32
Rot. Bonds10

About 2-[4-[2-(2,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide

2-[4-[2-(2,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide (PubChem CID 30737553) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 2-[4-[2-(2,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(2,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
PubChem CID30737553
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC Name2-[4-[2-(2,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1CCN(CC(=O)NCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H36N4O2/c1-21(2)17-27-25(31)19-29-13-15-30(16-14-29)20-26(32)28-18-24(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,21,24H,13-20H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyCRSIDRODMRRISR-UHFFFAOYSA-N
XLogP2.32
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide
CID 24589378
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 24534614
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
CID 30635957
N-(2-methylpropyl)-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide
CID 9348957
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 9391063
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 8743522
3-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 24589387
N-(2-methylpropylcarbamoyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34943993
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
methyl 1-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]piperidine-4-carboxylate
CID 8754473
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 8587824
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-[2-(2,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide (CID 30737553) is 2-[4-[2-(2,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-[2-(2,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-[2-(2,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN1CCN(CC(=O)NCC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[4-[2-(2,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is CRSIDRODMRRISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-21(2)17-27-25(31)19-29-13-15-30(16-14-29)20-26(32)28-18-24(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,21,24H,13-20H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of 2-[4-[2-(2,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide?
2-[4-[2-(2,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 436.60 g/mol, XLogP of 2.32, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 30737553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).