N-(3-amino-2,2-dimethylpropyl)-1-tert-butylpiperidine-4-carboxamide

C15H31N3O — CID 146256251

IUPACN-(3-amino-2,2-dimethylpropyl)-1-tert-butylpiperidine-4-carboxamide
SMILESCC(C)(CN)CNC(=O)C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-14(2,3)18-8-6-12(7-9-18)13(19)17-11-15(4,5)10-16/h12H,6-11,16H2,1-5H3,(H,17,19)
InChIKeyCJLAJTVBSNQRLN-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.60
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-1-tert-butylpiperidine-4-carboxamide

N-(3-amino-2,2-dimethylpropyl)-1-tert-butylpiperidine-4-carboxamide (PubChem CID 146256251) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-1-tert-butylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-1-tert-butylpiperidine-4-carboxamide
PubChem CID146256251
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-1-tert-butylpiperidine-4-carboxamide
SMILESCC(C)(CN)CNC(=O)C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-14(2,3)18-8-6-12(7-9-18)13(19)17-11-15(4,5)10-16/h12H,6-11,16H2,1-5H3,(H,17,19)
InChIKeyCJLAJTVBSNQRLN-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-tert-butylpiperidine-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-tert-butylpiperidine-4-carboxamide (CID 146256251) is N-(3-amino-2,2-dimethylpropyl)-1-tert-butylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-1-tert-butylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-1-tert-butylpiperidine-4-carboxamide is CC(C)(CN)CNC(=O)C1CCN(C(C)(C)C)CC1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-1-tert-butylpiperidine-4-carboxamide?
The InChIKey is CJLAJTVBSNQRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-14(2,3)18-8-6-12(7-9-18)13(19)17-11-15(4,5)10-16/h12H,6-11,16H2,1-5H3,(H,17,19).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-1-tert-butylpiperidine-4-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-1-tert-butylpiperidine-4-carboxamide has a molecular weight of 269.43 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-1-tert-butylpiperidine-4-carboxamide is sourced from PubChem (CID 146256251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).