N-(2-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;oxalic acid

C18H25ClN2O5 — CID 171154563

IUPACN-(2-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;oxalic acid
SMILESCC1CC(C)CN(CCC(=O)Nc2ccccc2Cl)C1.O=C(O)C(=O)O
InChIInChI=1S/C16H23ClN2O.C2H2O4/c1-12-9-13(2)11-19(10-12)8-7-16(20)18-15-6-4-3-5-14(15)17;3-1(4)2(5)6/h3-6,12-13H,7-11H2,1-2H3,(H,18,20);(H,3,4)(H,5,6)
InChIKeyGFDZXXJJHNBLGO-UHFFFAOYSA-N
MW384.86 g/mol
LogP2.80
Rot. Bonds4

About N-(2-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;oxalic acid

N-(2-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;oxalic acid (PubChem CID 171154563) has the molecular formula C18H25ClN2O5 and a molecular weight of 384.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;oxalic acid.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;oxalic acid
PubChem CID171154563
Molecular FormulaC18H25ClN2O5
Molecular Weight384.86 g/mol
Exact Mass384.15
IUPAC NameN-(2-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;oxalic acid
SMILESCC1CC(C)CN(CCC(=O)Nc2ccccc2Cl)C1.O=C(O)C(=O)O
InChIInChI=1S/C16H23ClN2O.C2H2O4/c1-12-9-13(2)11-19(10-12)8-7-16(20)18-15-6-4-3-5-14(15)17;3-1(4)2(5)6/h3-6,12-13H,7-11H2,1-2H3,(H,18,20);(H,3,4)(H,5,6)
InChIKeyGFDZXXJJHNBLGO-UHFFFAOYSA-N
XLogP2.80
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 52.80
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-(2-chlorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 740080
N-(2-chlorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145302
N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid
CID 171154554
3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-fluorophenyl)propanamide
CID 740148
3-(3,5-dimethylpiperidin-1-yl)-N-phenylpropanamide;hydrochloride
CID 126467812
N-(2-chlorophenyl)-3-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78963268
3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 1342605
3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide
CID 43556671
(3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 40638803
N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 17270452
ethyl (3S)-1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 771185
ethyl 1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 2902079

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;oxalic acid?
The IUPAC name of N-(2-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;oxalic acid (CID 171154563) is N-(2-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;oxalic acid.
What is the SMILES notation for N-(2-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;oxalic acid?
The canonical SMILES for N-(2-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;oxalic acid is CC1CC(C)CN(CCC(=O)Nc2ccccc2Cl)C1.O=C(O)C(=O)O.
What is the InChIKey of N-(2-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;oxalic acid?
The InChIKey is GFDZXXJJHNBLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O.C2H2O4/c1-12-9-13(2)11-19(10-12)8-7-16(20)18-15-6-4-3-5-14(15)17;3-1(4)2(5)6/h3-6,12-13H,7-11H2,1-2H3,(H,18,20);(H,3,4)(H,5,6).
What are the key properties of N-(2-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;oxalic acid?
N-(2-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;oxalic acid has a molecular weight of 384.86 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;oxalic acid is sourced from PubChem (CID 171154563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).