N,N-diethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylacetamide

C20H33N3O — CID 55410522

IUPACN,N-diethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)N1CCN(CC(C)C)CC1
InChIInChI=1S/C20H33N3O/c1-5-22(6-2)20(24)19(18-10-8-7-9-11-18)23-14-12-21(13-15-23)16-17(3)4/h7-11,17,19H,5-6,12-16H2,1-4H3
InChIKeyHHGPSVDBKWOHGG-UHFFFAOYSA-N
MW331.50 g/mol
LogP2.87
Rot. Bonds7

About N,N-diethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylacetamide

N,N-diethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylacetamide (PubChem CID 55410522) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylacetamide
PubChem CID55410522
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC NameN,N-diethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)N1CCN(CC(C)C)CC1
InChIInChI=1S/C20H33N3O/c1-5-22(6-2)20(24)19(18-10-8-7-9-11-18)23-14-12-21(13-15-23)16-17(3)4/h7-11,17,19H,5-6,12-16H2,1-4H3
InChIKeyHHGPSVDBKWOHGG-UHFFFAOYSA-N
XLogP2.87
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
CID 55432148
N,N-diethyl-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide
CID 55498439
(2S)-N,N-diethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide
CID 30776820
N,N-diethyl-2-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 55469592
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethyl-2-phenylacetamide
CID 55387320
(2R)-2-[4-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 30740688
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylacetamide
CID 18342726
2-(diethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone
CID 56550201
2-[ethyl(methyl)amino]-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone
CID 56509530
2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
CID 86915510
N,N-diethyl-2-[4-(2-fluoro-4-formylphenyl)piperazin-1-yl]-2-phenylacetamide
CID 86612370
N,N-diethyl-2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]piperazin-1-yl]-2-phenylacetamide
CID 58055774

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of N,N-diethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylacetamide (CID 55410522) is N,N-diethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for N,N-diethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for N,N-diethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylacetamide is CCN(CC)C(=O)C(c1ccccc1)N1CCN(CC(C)C)CC1.
What is the InChIKey of N,N-diethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylacetamide?
The InChIKey is HHGPSVDBKWOHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-5-22(6-2)20(24)19(18-10-8-7-9-11-18)23-14-12-21(13-15-23)16-17(3)4/h7-11,17,19H,5-6,12-16H2,1-4H3.
What are the key properties of N,N-diethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylacetamide?
N,N-diethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylacetamide has a molecular weight of 331.50 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 55410522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).