2,2-dimethyl-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]propanamide;hydrochloride

C17H26ClN3O2 — CID 119580181

IUPAC2,2-dimethyl-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]propanamide;hydrochloride
SMILESCC1CN(C(=O)c2ccccc2NC(=O)C(C)(C)C)CCN1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-12-11-20(10-9-18-12)15(21)13-7-5-6-8-14(13)19-16(22)17(2,3)4;/h5-8,12,18H,9-11H2,1-4H3,(H,19,22);1H
InChIKeyRZAVJONNVUEDFQ-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.53
Rot. Bonds2

About 2,2-dimethyl-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]propanamide;hydrochloride

2,2-dimethyl-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]propanamide;hydrochloride (PubChem CID 119580181) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]propanamide;hydrochloride
PubChem CID119580181
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name2,2-dimethyl-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]propanamide;hydrochloride
SMILESCC1CN(C(=O)c2ccccc2NC(=O)C(C)(C)C)CCN1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-12-11-20(10-9-18-12)15(21)13-7-5-6-8-14(13)19-16(22)17(2,3)4;/h5-8,12,18H,9-11H2,1-4H3,(H,19,22);1H
InChIKeyRZAVJONNVUEDFQ-UHFFFAOYSA-N
XLogP2.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 119576131
(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998
(2-iodophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426406
(2,3-difluorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81428714
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
(2-ethylsulfonylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124591302
(2,3-dihydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104894013
[2-(3-methoxyanilino)phenyl]-(3-methylpiperazin-1-yl)methanone
CID 119576643
(3R)-N-(2-iodophenyl)-3-methylpiperazine-1-carboxamide;hydrochloride
CID 165429772
N-(2-fluorophenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenoxy]acetamide;hydrochloride
CID 119579274
(2-chlorophenyl)-(3-methyl-1,4-diazepan-1-yl)methanone
CID 82245120
(2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65449557

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]propanamide;hydrochloride?
The IUPAC name of 2,2-dimethyl-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]propanamide;hydrochloride (CID 119580181) is 2,2-dimethyl-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2,2-dimethyl-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for 2,2-dimethyl-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]propanamide;hydrochloride is CC1CN(C(=O)c2ccccc2NC(=O)C(C)(C)C)CCN1.Cl.
What is the InChIKey of 2,2-dimethyl-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]propanamide;hydrochloride?
The InChIKey is RZAVJONNVUEDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-12-11-20(10-9-18-12)15(21)13-7-5-6-8-14(13)19-16(22)17(2,3)4;/h5-8,12,18H,9-11H2,1-4H3,(H,19,22);1H.
What are the key properties of 2,2-dimethyl-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]propanamide;hydrochloride?
2,2-dimethyl-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]propanamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119580181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).