N'-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-N-[2-(N-methylanilino)ethyl]oxamide

C25H32N4O3 — CID 78882681

IUPACN'-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-N-[2-(N-methylanilino)ethyl]oxamide
SMILESCC1CC(C)CN(C(=O)c2ccccc2NC(=O)C(=O)NCCN(C)c2ccccc2)C1
InChIInChI=1S/C25H32N4O3/c1-18-15-19(2)17-29(16-18)25(32)21-11-7-8-12-22(21)27-24(31)23(30)26-13-14-28(3)20-9-5-4-6-10-20/h4-12,18-19H,13-17H2,1-3H3,(H,26,30)(H,27,31)
InChIKeyPKTHGUXKHCSMMS-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.00
Rot. Bonds6

About N'-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-N-[2-(N-methylanilino)ethyl]oxamide

N'-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-N-[2-(N-methylanilino)ethyl]oxamide (PubChem CID 78882681) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-N-[2-(N-methylanilino)ethyl]oxamide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-N-[2-(N-methylanilino)ethyl]oxamide
PubChem CID78882681
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN'-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-N-[2-(N-methylanilino)ethyl]oxamide
SMILESCC1CC(C)CN(C(=O)c2ccccc2NC(=O)C(=O)NCCN(C)c2ccccc2)C1
InChIInChI=1S/C25H32N4O3/c1-18-15-19(2)17-29(16-18)25(32)21-11-7-8-12-22(21)27-24(31)23(30)26-13-14-28(3)20-9-5-4-6-10-20/h4-12,18-19H,13-17H2,1-3H3,(H,26,30)(H,27,31)
InChIKeyPKTHGUXKHCSMMS-UHFFFAOYSA-N
XLogP3.00
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]-2-oxoethyl]-2-phenylacetamide
CID 51942969
4-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 102554567
N-[3-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55677137
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119717948
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119717968
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylpropanamide
CID 60547227
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 43048910
3-acetamido-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 55677286
(3,5-dimethylpiperidin-1-yl)-[2-(3-methylsulfonylpropylamino)phenyl]methanone
CID 131960945
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119717975
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-6-methylpyridine-2-carboxamide
CID 46442735
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(2-nitroanilino)propanamide
CID 46442916

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-N-[2-(N-methylanilino)ethyl]oxamide?
The IUPAC name of N'-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-N-[2-(N-methylanilino)ethyl]oxamide (CID 78882681) is N'-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-N-[2-(N-methylanilino)ethyl]oxamide.
What is the SMILES notation for N'-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-N-[2-(N-methylanilino)ethyl]oxamide?
The canonical SMILES for N'-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-N-[2-(N-methylanilino)ethyl]oxamide is CC1CC(C)CN(C(=O)c2ccccc2NC(=O)C(=O)NCCN(C)c2ccccc2)C1.
What is the InChIKey of N'-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-N-[2-(N-methylanilino)ethyl]oxamide?
The InChIKey is PKTHGUXKHCSMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-18-15-19(2)17-29(16-18)25(32)21-11-7-8-12-22(21)27-24(31)23(30)26-13-14-28(3)20-9-5-4-6-10-20/h4-12,18-19H,13-17H2,1-3H3,(H,26,30)(H,27,31).
What are the key properties of N'-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-N-[2-(N-methylanilino)ethyl]oxamide?
N'-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-N-[2-(N-methylanilino)ethyl]oxamide has a molecular weight of 436.56 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-N-[2-(N-methylanilino)ethyl]oxamide is sourced from PubChem (CID 78882681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).