2-(4,4-dimethyl-2-oxopiperazin-4-ium-1-yl)-N-(3,3-diphenylpropyl)acetamide chloride

C23H30ClN3O2 — CID 11429950

IUPAC2-(4,4-dimethyl-2-oxopiperazin-4-ium-1-yl)-N-(3,3-diphenylpropyl)acetamide chloride
SMILESC[N+]1(C)CCN(CC(=O)NCCC(c2ccccc2)c2ccccc2)C(=O)C1.[Cl-]
InChIInChI=1S/C23H29N3O2.ClH/c1-26(2)16-15-25(23(28)18-26)17-22(27)24-14-13-21(19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-12,21H,13-18H2,1-2H3;1H
InChIKeyRFNBLCLXJZMXNT-UHFFFAOYSA-N
MW415.97 g/mol
LogP-0.75
Rot. Bonds7

About 2-(4,4-dimethyl-2-oxopiperazin-4-ium-1-yl)-N-(3,3-diphenylpropyl)acetamide chloride

2-(4,4-dimethyl-2-oxopiperazin-4-ium-1-yl)-N-(3,3-diphenylpropyl)acetamide chloride (PubChem CID 11429950) has the molecular formula C23H30ClN3O2 and a molecular weight of 415.97 g/mol. Its IUPAC name is 2-(4,4-dimethyl-2-oxopiperazin-4-ium-1-yl)-N-(3,3-diphenylpropyl)acetamide chloride.

Molecular Properties

Compound Name2-(4,4-dimethyl-2-oxopiperazin-4-ium-1-yl)-N-(3,3-diphenylpropyl)acetamide chloride
PubChem CID11429950
Molecular FormulaC23H30ClN3O2
Molecular Weight415.97 g/mol
Exact Mass415.20
IUPAC Name2-(4,4-dimethyl-2-oxopiperazin-4-ium-1-yl)-N-(3,3-diphenylpropyl)acetamide chloride
SMILESC[N+]1(C)CCN(CC(=O)NCCC(c2ccccc2)c2ccccc2)C(=O)C1.[Cl-]
InChIInChI=1S/C23H29N3O2.ClH/c1-26(2)16-15-25(23(28)18-26)17-22(27)24-14-13-21(19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-12,21H,13-18H2,1-2H3;1H
InChIKeyRFNBLCLXJZMXNT-UHFFFAOYSA-N
XLogP-0.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.97
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzylsulfanylethyl)-2-(4,4-dimethyl-2-oxo-1,4-diazepan-4-ium-1-yl)acetamide
CID 11395046
N-(3,3-diphenylpropyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 8014704
N-[3-(furan-2-yl)-3-phenylpropyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 131923564
N-(3,3-diphenylpropyl)-2-thiomorpholin-4-ylacetamide
CID 58938041
2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(3,3-diphenylpropyl)acetamide
CID 7935615
N-(3,3-diphenylpropyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide
CID 112801327
2-(9-oxo-8-aza-5-azoniaspiro[4.5]decan-8-yl)-N-(2-pyridin-2-ylethyl)acetamide chloride
CID 11221916
(3R)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 40629946
N-(3,3-diphenylpropyl)-2-(methylamino)acetamide;hydrochloride
CID 119675915
(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 8012205
3-amino-N-(3,3-diphenylpropyl)propanamide
CID 61260173
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3,3-diphenylpropyl)acetamide
CID 47093726

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-2-oxopiperazin-4-ium-1-yl)-N-(3,3-diphenylpropyl)acetamide chloride?
The IUPAC name of 2-(4,4-dimethyl-2-oxopiperazin-4-ium-1-yl)-N-(3,3-diphenylpropyl)acetamide chloride (CID 11429950) is 2-(4,4-dimethyl-2-oxopiperazin-4-ium-1-yl)-N-(3,3-diphenylpropyl)acetamide chloride.
What is the SMILES notation for 2-(4,4-dimethyl-2-oxopiperazin-4-ium-1-yl)-N-(3,3-diphenylpropyl)acetamide chloride?
The canonical SMILES for 2-(4,4-dimethyl-2-oxopiperazin-4-ium-1-yl)-N-(3,3-diphenylpropyl)acetamide chloride is C[N+]1(C)CCN(CC(=O)NCCC(c2ccccc2)c2ccccc2)C(=O)C1.[Cl-].
What is the InChIKey of 2-(4,4-dimethyl-2-oxopiperazin-4-ium-1-yl)-N-(3,3-diphenylpropyl)acetamide chloride?
The InChIKey is RFNBLCLXJZMXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2.ClH/c1-26(2)16-15-25(23(28)18-26)17-22(27)24-14-13-21(19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-12,21H,13-18H2,1-2H3;1H.
What are the key properties of 2-(4,4-dimethyl-2-oxopiperazin-4-ium-1-yl)-N-(3,3-diphenylpropyl)acetamide chloride?
2-(4,4-dimethyl-2-oxopiperazin-4-ium-1-yl)-N-(3,3-diphenylpropyl)acetamide chloride has a molecular weight of 415.97 g/mol, XLogP of -0.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-2-oxopiperazin-4-ium-1-yl)-N-(3,3-diphenylpropyl)acetamide chloride is sourced from PubChem (CID 11429950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).