N-(4-piperidin-1-ylphenyl)-N'-(2-propan-2-yloxyphenyl)oxamide

C22H27N3O3 — CID 108987317

IUPACN-(4-piperidin-1-ylphenyl)-N'-(2-propan-2-yloxyphenyl)oxamide
SMILESCC(C)Oc1ccccc1NC(=O)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H27N3O3/c1-16(2)28-20-9-5-4-8-19(20)24-22(27)21(26)23-17-10-12-18(13-11-17)25-14-6-3-7-15-25/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyKGDLNBXJTYGJKO-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.04
Rot. Bonds5

About N-(4-piperidin-1-ylphenyl)-N'-(2-propan-2-yloxyphenyl)oxamide

N-(4-piperidin-1-ylphenyl)-N'-(2-propan-2-yloxyphenyl)oxamide (PubChem CID 108987317) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)-N'-(2-propan-2-yloxyphenyl)oxamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)-N'-(2-propan-2-yloxyphenyl)oxamide
PubChem CID108987317
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-(4-piperidin-1-ylphenyl)-N'-(2-propan-2-yloxyphenyl)oxamide
SMILESCC(C)Oc1ccccc1NC(=O)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H27N3O3/c1-16(2)28-20-9-5-4-8-19(20)24-22(27)21(26)23-17-10-12-18(13-11-17)25-14-6-3-7-15-25/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyKGDLNBXJTYGJKO-UHFFFAOYSA-N
XLogP4.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.04
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': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-propan-2-yloxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109009287
4-piperidin-1-yl-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109204673
N'-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47224104
(2R)-2-(2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550758
N'-(2,3-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108986873
N-(2-methoxyphenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide
CID 108969323
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-yloxybenzamide
CID 50946132
2-(2-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166702
(2R)-2-(2-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 39126898
N'-butan-2-yl-N-(4-piperidin-1-ylphenyl)oxamide
CID 108505469
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038
2-morpholin-4-yl-2-oxo-N-(2-propan-2-yloxyphenyl)acetamide
CID 108984286

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)-N'-(2-propan-2-yloxyphenyl)oxamide?
The IUPAC name of N-(4-piperidin-1-ylphenyl)-N'-(2-propan-2-yloxyphenyl)oxamide (CID 108987317) is N-(4-piperidin-1-ylphenyl)-N'-(2-propan-2-yloxyphenyl)oxamide.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)-N'-(2-propan-2-yloxyphenyl)oxamide?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)-N'-(2-propan-2-yloxyphenyl)oxamide is CC(C)Oc1ccccc1NC(=O)C(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)-N'-(2-propan-2-yloxyphenyl)oxamide?
The InChIKey is KGDLNBXJTYGJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16(2)28-20-9-5-4-8-19(20)24-22(27)21(26)23-17-10-12-18(13-11-17)25-14-6-3-7-15-25/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-piperidin-1-ylphenyl)-N'-(2-propan-2-yloxyphenyl)oxamide?
N-(4-piperidin-1-ylphenyl)-N'-(2-propan-2-yloxyphenyl)oxamide has a molecular weight of 381.48 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)-N'-(2-propan-2-yloxyphenyl)oxamide is sourced from PubChem (CID 108987317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).