4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide

C20H39N3O — CID 176630030

IUPAC4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide
SMILESCN(C(=O)N1CCC(C(C)(C)C)CC1)C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C20H39N3O/c1-19(2,3)16-8-12-22(13-9-16)18(24)21(7)17-10-14-23(15-11-17)20(4,5)6/h16-17H,8-15H2,1-7H3
InChIKeyBZUCXUQEJIPNRI-UHFFFAOYSA-N
MW337.55 g/mol
LogP4.06
Rot. Bonds1

About 4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide

4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide (PubChem CID 176630030) has the molecular formula C20H39N3O and a molecular weight of 337.55 g/mol. Its IUPAC name is 4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide
PubChem CID176630030
Molecular FormulaC20H39N3O
Molecular Weight337.55 g/mol
Exact Mass337.31
IUPAC Name4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide
SMILESCN(C(=O)N1CCC(C(C)(C)C)CC1)C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C20H39N3O/c1-19(2,3)16-8-12-22(13-9-16)18(24)21(7)17-10-14-23(15-11-17)20(4,5)6/h16-17H,8-15H2,1-7H3
InChIKeyBZUCXUQEJIPNRI-UHFFFAOYSA-N
XLogP4.06
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.55
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide (CID 176630030) is 4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide is CN(C(=O)N1CCC(C(C)(C)C)CC1)C1CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide?
The InChIKey is BZUCXUQEJIPNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O/c1-19(2,3)16-8-12-22(13-9-16)18(24)21(7)17-10-14-23(15-11-17)20(4,5)6/h16-17H,8-15H2,1-7H3.
What are the key properties of 4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide?
4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide has a molecular weight of 337.55 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 176630030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).