N-(2-amino-4,4-dimethylpent-1-en-3-yl)-1-(3-methylbutan-2-yl)piperidine-2-carboxamide

C18H35N3O — CID 142813728

IUPACN-(2-amino-4,4-dimethylpent-1-en-3-yl)-1-(3-methylbutan-2-yl)piperidine-2-carboxamide
SMILESC=C(N)C(NC(=O)C1CCCCN1C(C)C(C)C)C(C)(C)C
InChIInChI=1S/C18H35N3O/c1-12(2)14(4)21-11-9-8-10-15(21)17(22)20-16(13(3)19)18(5,6)7/h12,14-16H,3,8-11,19H2,1-2,4-7H3,(H,20,22)
InChIKeyXHBPYJANVQCRNC-UHFFFAOYSA-N
MW309.50 g/mol
LogP2.89
Rot. Bonds5

About N-(2-amino-4,4-dimethylpent-1-en-3-yl)-1-(3-methylbutan-2-yl)piperidine-2-carboxamide

N-(2-amino-4,4-dimethylpent-1-en-3-yl)-1-(3-methylbutan-2-yl)piperidine-2-carboxamide (PubChem CID 142813728) has the molecular formula C18H35N3O and a molecular weight of 309.50 g/mol. Its IUPAC name is N-(2-amino-4,4-dimethylpent-1-en-3-yl)-1-(3-methylbutan-2-yl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4,4-dimethylpent-1-en-3-yl)-1-(3-methylbutan-2-yl)piperidine-2-carboxamide
PubChem CID142813728
Molecular FormulaC18H35N3O
Molecular Weight309.50 g/mol
Exact Mass309.28
IUPAC NameN-(2-amino-4,4-dimethylpent-1-en-3-yl)-1-(3-methylbutan-2-yl)piperidine-2-carboxamide
SMILESC=C(N)C(NC(=O)C1CCCCN1C(C)C(C)C)C(C)(C)C
InChIInChI=1S/C18H35N3O/c1-12(2)14(4)21-11-9-8-10-15(21)17(22)20-16(13(3)19)18(5,6)7/h12,14-16H,3,8-11,19H2,1-2,4-7H3,(H,20,22)
InChIKeyXHBPYJANVQCRNC-UHFFFAOYSA-N
XLogP2.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,4-dimethylpent-1-en-3-yl)-1-(3-methylbutan-2-yl)piperidine-2-carboxamide?
The IUPAC name of N-(2-amino-4,4-dimethylpent-1-en-3-yl)-1-(3-methylbutan-2-yl)piperidine-2-carboxamide (CID 142813728) is N-(2-amino-4,4-dimethylpent-1-en-3-yl)-1-(3-methylbutan-2-yl)piperidine-2-carboxamide.
What is the SMILES notation for N-(2-amino-4,4-dimethylpent-1-en-3-yl)-1-(3-methylbutan-2-yl)piperidine-2-carboxamide?
The canonical SMILES for N-(2-amino-4,4-dimethylpent-1-en-3-yl)-1-(3-methylbutan-2-yl)piperidine-2-carboxamide is C=C(N)C(NC(=O)C1CCCCN1C(C)C(C)C)C(C)(C)C.
What is the InChIKey of N-(2-amino-4,4-dimethylpent-1-en-3-yl)-1-(3-methylbutan-2-yl)piperidine-2-carboxamide?
The InChIKey is XHBPYJANVQCRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O/c1-12(2)14(4)21-11-9-8-10-15(21)17(22)20-16(13(3)19)18(5,6)7/h12,14-16H,3,8-11,19H2,1-2,4-7H3,(H,20,22).
What are the key properties of N-(2-amino-4,4-dimethylpent-1-en-3-yl)-1-(3-methylbutan-2-yl)piperidine-2-carboxamide?
N-(2-amino-4,4-dimethylpent-1-en-3-yl)-1-(3-methylbutan-2-yl)piperidine-2-carboxamide has a molecular weight of 309.50 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,4-dimethylpent-1-en-3-yl)-1-(3-methylbutan-2-yl)piperidine-2-carboxamide is sourced from PubChem (CID 142813728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).