N-tert-butyl-4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxamide

C17H29N3O2 — CID 75440176

IUPACN-tert-butyl-4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(NC(=O)CC2C=CCC2)CC1
InChIInChI=1S/C17H29N3O2/c1-17(2,3)19-16(22)20-10-8-14(9-11-20)18-15(21)12-13-6-4-5-7-13/h4,6,13-14H,5,7-12H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyVCDJOVSXVVSLLB-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.43
Rot. Bonds3

About N-tert-butyl-4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxamide

N-tert-butyl-4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxamide (PubChem CID 75440176) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-tert-butyl-4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxamide
PubChem CID75440176
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC NameN-tert-butyl-4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(NC(=O)CC2C=CCC2)CC1
InChIInChI=1S/C17H29N3O2/c1-17(2,3)19-16(22)20-10-8-14(9-11-20)18-15(21)12-13-6-4-5-7-13/h4,6,13-14H,5,7-12H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyVCDJOVSXVVSLLB-UHFFFAOYSA-N
XLogP2.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxamide (CID 75440176) is N-tert-butyl-4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxamide is CC(C)(C)NC(=O)N1CCC(NC(=O)CC2C=CCC2)CC1.
What is the InChIKey of N-tert-butyl-4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxamide?
The InChIKey is VCDJOVSXVVSLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-17(2,3)19-16(22)20-10-8-14(9-11-20)18-15(21)12-13-6-4-5-7-13/h4,6,13-14H,5,7-12H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N-tert-butyl-4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxamide?
N-tert-butyl-4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 75440176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).