N'-[(2-methylcyclopropyl)-phenylmethyl]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]oxamide

C26H31N3O3 — CID 86960571

IUPACN'-[(2-methylcyclopropyl)-phenylmethyl]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]oxamide
SMILESCC1CCN(C(=O)c2ccc(NC(=O)C(=O)NC(c3ccccc3)C3CC3C)cc2)CC1
InChIInChI=1S/C26H31N3O3/c1-17-12-14-29(15-13-17)26(32)20-8-10-21(11-9-20)27-24(30)25(31)28-23(22-16-18(22)2)19-6-4-3-5-7-19/h3-11,17-18,22-23H,12-16H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyNIMLACNHGSNTIX-UHFFFAOYSA-N
MW433.55 g/mol
LogP4.01
Rot. Bonds5

About N'-[(2-methylcyclopropyl)-phenylmethyl]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]oxamide

N'-[(2-methylcyclopropyl)-phenylmethyl]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]oxamide (PubChem CID 86960571) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is N'-[(2-methylcyclopropyl)-phenylmethyl]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[(2-methylcyclopropyl)-phenylmethyl]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]oxamide
PubChem CID86960571
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC NameN'-[(2-methylcyclopropyl)-phenylmethyl]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]oxamide
SMILESCC1CCN(C(=O)c2ccc(NC(=O)C(=O)NC(c3ccccc3)C3CC3C)cc2)CC1
InChIInChI=1S/C26H31N3O3/c1-17-12-14-29(15-13-17)26(32)20-8-10-21(11-9-20)27-24(30)25(31)28-23(22-16-18(22)2)19-6-4-3-5-7-19/h3-11,17-18,22-23H,12-16H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyNIMLACNHGSNTIX-UHFFFAOYSA-N
XLogP4.01
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide
CID 60546042
N-[4-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]acetamide
CID 134023910
1-methyl-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
CID 47326206
2-chloro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17179593
(2S)-2-amino-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119301656
(1S,6S)-6-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 52506416
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 5001175
1-(2-methylcyclohexyl)-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
CID 60545836
2-(2-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
CID 17179652
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
cis-(1S,2R)-N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 97023007
trans-(1S,2S)-N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 97023008

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methylcyclopropyl)-phenylmethyl]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]oxamide?
The IUPAC name of N'-[(2-methylcyclopropyl)-phenylmethyl]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]oxamide (CID 86960571) is N'-[(2-methylcyclopropyl)-phenylmethyl]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]oxamide.
What is the SMILES notation for N'-[(2-methylcyclopropyl)-phenylmethyl]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]oxamide?
The canonical SMILES for N'-[(2-methylcyclopropyl)-phenylmethyl]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]oxamide is CC1CCN(C(=O)c2ccc(NC(=O)C(=O)NC(c3ccccc3)C3CC3C)cc2)CC1.
What is the InChIKey of N'-[(2-methylcyclopropyl)-phenylmethyl]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]oxamide?
The InChIKey is NIMLACNHGSNTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-17-12-14-29(15-13-17)26(32)20-8-10-21(11-9-20)27-24(30)25(31)28-23(22-16-18(22)2)19-6-4-3-5-7-19/h3-11,17-18,22-23H,12-16H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N'-[(2-methylcyclopropyl)-phenylmethyl]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]oxamide?
N'-[(2-methylcyclopropyl)-phenylmethyl]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]oxamide has a molecular weight of 433.55 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methylcyclopropyl)-phenylmethyl]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]oxamide is sourced from PubChem (CID 86960571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).