N'-butan-2-yl-N-(4-piperidin-1-ylphenyl)oxamide

C17H25N3O2 — CID 108505469

IUPACN'-butan-2-yl-N-(4-piperidin-1-ylphenyl)oxamide
SMILESCCC(C)NC(=O)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H25N3O2/c1-3-13(2)18-16(21)17(22)19-14-7-9-15(10-8-14)20-11-5-4-6-12-20/h7-10,13H,3-6,11-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyPIRHFHCAEOWRKS-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.53
Rot. Bonds4

About N'-butan-2-yl-N-(4-piperidin-1-ylphenyl)oxamide

N'-butan-2-yl-N-(4-piperidin-1-ylphenyl)oxamide (PubChem CID 108505469) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N'-butan-2-yl-N-(4-piperidin-1-ylphenyl)oxamide.

Molecular Properties

Compound NameN'-butan-2-yl-N-(4-piperidin-1-ylphenyl)oxamide
PubChem CID108505469
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN'-butan-2-yl-N-(4-piperidin-1-ylphenyl)oxamide
SMILESCCC(C)NC(=O)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H25N3O2/c1-3-13(2)18-16(21)17(22)19-14-7-9-15(10-8-14)20-11-5-4-6-12-20/h7-10,13H,3-6,11-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyPIRHFHCAEOWRKS-UHFFFAOYSA-N
XLogP2.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N'-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47224104
N-[4-(azepan-1-yl)phenyl]-2-bromobutanamide
CID 62855929
2-bromo-N-(4-piperidin-1-ylphenyl)butanamide
CID 62856119
N-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47226004
2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 60661179
N-butyl-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108505148
(2S)-2-amino-N-[4-(azepan-1-yl)phenyl]butanamide
CID 79022944
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038
N',N'-diethyl-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108986203
3-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 62727759
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide
CID 112988748
(2S)-N-[4-(azepan-1-yl)phenyl]-2-chloropropanamide
CID 51869081

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-(4-piperidin-1-ylphenyl)oxamide?
The IUPAC name of N'-butan-2-yl-N-(4-piperidin-1-ylphenyl)oxamide (CID 108505469) is N'-butan-2-yl-N-(4-piperidin-1-ylphenyl)oxamide.
What is the SMILES notation for N'-butan-2-yl-N-(4-piperidin-1-ylphenyl)oxamide?
The canonical SMILES for N'-butan-2-yl-N-(4-piperidin-1-ylphenyl)oxamide is CCC(C)NC(=O)C(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N'-butan-2-yl-N-(4-piperidin-1-ylphenyl)oxamide?
The InChIKey is PIRHFHCAEOWRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-13(2)18-16(21)17(22)19-14-7-9-15(10-8-14)20-11-5-4-6-12-20/h7-10,13H,3-6,11-12H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-butan-2-yl-N-(4-piperidin-1-ylphenyl)oxamide?
N'-butan-2-yl-N-(4-piperidin-1-ylphenyl)oxamide has a molecular weight of 303.41 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-(4-piperidin-1-ylphenyl)oxamide is sourced from PubChem (CID 108505469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).