N'-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide

C15H29N3O2 — CID 16886630

IUPACN'-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
SMILESCC(C)N1CCC(CNC(=O)C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C15H29N3O2/c1-11(2)18-8-6-12(7-9-18)10-16-13(19)14(20)17-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,19)(H,17,20)
InChIKeySYKMCSISWCHFRR-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.14
Rot. Bonds3

About N'-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide

N'-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide (PubChem CID 16886630) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N'-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
PubChem CID16886630
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN'-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
SMILESCC(C)N1CCC(CNC(=O)C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C15H29N3O2/c1-11(2)18-8-6-12(7-9-18)10-16-13(19)14(20)17-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,19)(H,17,20)
InChIKeySYKMCSISWCHFRR-UHFFFAOYSA-N
XLogP1.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide?
The IUPAC name of N'-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide (CID 16886630) is N'-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide.
What is the SMILES notation for N'-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide?
The canonical SMILES for N'-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide is CC(C)N1CCC(CNC(=O)C(=O)NC(C)(C)C)CC1.
What is the InChIKey of N'-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide?
The InChIKey is SYKMCSISWCHFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-11(2)18-8-6-12(7-9-18)10-16-13(19)14(20)17-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,19)(H,17,20).
What are the key properties of N'-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide?
N'-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide has a molecular weight of 283.42 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide is sourced from PubChem (CID 16886630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).