N-(2-methoxyphenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide

C23H29N3O3 — CID 108969323

IUPACN-(2-methoxyphenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide
SMILESCOc1ccccc1NC(=O)C(C)(C)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O3/c1-23(2,22(28)25-19-9-5-6-10-20(19)29-3)21(27)24-17-11-13-18(14-12-17)26-15-7-4-8-16-26/h5-6,9-14H,4,7-8,15-16H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyWQCCBQDVUYUTGV-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.29
Rot. Bonds6

About N-(2-methoxyphenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide

N-(2-methoxyphenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide (PubChem CID 108969323) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide
PubChem CID108969323
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-(2-methoxyphenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide
SMILESCOc1ccccc1NC(=O)C(C)(C)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O3/c1-23(2,22(28)25-19-9-5-6-10-20(19)29-3)21(27)24-17-11-13-18(14-12-17)26-15-7-4-8-16-26/h5-6,9-14H,4,7-8,15-16H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyWQCCBQDVUYUTGV-UHFFFAOYSA-N
XLogP4.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanophenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide
CID 108969928
3-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109039433
2,2-dimethyl-N-(4-methylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108967489
N-(3,4-dimethoxyphenyl)-N'-(2-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969309
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960710
2,2-dimethyl-N-(2-methylphenyl)-N'-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide
CID 108967292
1-(2-methoxyphenyl)-3-[(4-piperidin-1-ylphenyl)methyl]urea
CID 94393323
1-(2-methoxyphenyl)-3-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]urea
CID 100747805
N-(4-piperidin-1-ylphenyl)-N'-(2-propan-2-yloxyphenyl)oxamide
CID 108987317
(2R)-2-(2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550758
1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108992011
N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108969922

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide?
The IUPAC name of N-(2-methoxyphenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide (CID 108969323) is N-(2-methoxyphenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide?
The canonical SMILES for N-(2-methoxyphenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide is COc1ccccc1NC(=O)C(C)(C)C(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide?
The InChIKey is WQCCBQDVUYUTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-23(2,22(28)25-19-9-5-6-10-20(19)29-3)21(27)24-17-11-13-18(14-12-17)26-15-7-4-8-16-26/h5-6,9-14H,4,7-8,15-16H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-(2-methoxyphenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide?
N-(2-methoxyphenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide has a molecular weight of 395.50 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide is sourced from PubChem (CID 108969323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).