N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide;oxalic acid

C18H26N2O5 — CID 171154670

IUPACN-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide;oxalic acid
SMILESCc1ccc(NC(=O)CCN2CCCCC2)cc1C.O=C(O)C(=O)O
InChIInChI=1S/C16H24N2O.C2H2O4/c1-13-6-7-15(12-14(13)2)17-16(19)8-11-18-9-4-3-5-10-18;3-1(4)2(5)6/h6-7,12H,3-5,8-11H2,1-2H3,(H,17,19);(H,3,4)(H,5,6)
InChIKeyIPNDWKDNDGVRGT-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.27
Rot. Bonds4

About N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide;oxalic acid

N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide;oxalic acid (PubChem CID 171154670) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide;oxalic acid.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide;oxalic acid
PubChem CID171154670
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC NameN-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide;oxalic acid
SMILESCc1ccc(NC(=O)CCN2CCCCC2)cc1C.O=C(O)C(=O)O
InChIInChI=1S/C16H24N2O.C2H2O4/c1-13-6-7-15(12-14(13)2)17-16(19)8-11-18-9-4-3-5-10-18;3-1(4)2(5)6/h6-7,12H,3-5,8-11H2,1-2H3,(H,17,19);(H,3,4)(H,5,6)
InChIKeyIPNDWKDNDGVRGT-UHFFFAOYSA-N
XLogP2.27
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771569
N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide
CID 778184
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 109033634
N-(3,5-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771509
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
N-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109027329
3-[3-(azepan-1-yl)propanoylamino]benzoic acid
CID 53215946
3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride
CID 90483211
N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydron;chloride
CID 5389665
2-(azocan-1-yl)-N-[(3,4-dimethylphenyl)carbamoyl]acetamide
CID 9460285
N-[9-methyl-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide
CID 59868948

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide;oxalic acid?
The IUPAC name of N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide;oxalic acid (CID 171154670) is N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide;oxalic acid.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide;oxalic acid?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide;oxalic acid is Cc1ccc(NC(=O)CCN2CCCCC2)cc1C.O=C(O)C(=O)O.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide;oxalic acid?
The InChIKey is IPNDWKDNDGVRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.C2H2O4/c1-13-6-7-15(12-14(13)2)17-16(19)8-11-18-9-4-3-5-10-18;3-1(4)2(5)6/h6-7,12H,3-5,8-11H2,1-2H3,(H,17,19);(H,3,4)(H,5,6).
What are the key properties of N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide;oxalic acid?
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide;oxalic acid has a molecular weight of 350.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide;oxalic acid is sourced from PubChem (CID 171154670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).