N-(1-tert-butylpiperidin-4-yl)-2-methylpiperidine-2-carboxamide

C16H31N3O — CID 104596354

IUPACN-(1-tert-butylpiperidin-4-yl)-2-methylpiperidine-2-carboxamide
SMILESCC1(C(=O)NC2CCN(C(C)(C)C)CC2)CCCCN1
InChIInChI=1S/C16H31N3O/c1-15(2,3)19-11-7-13(8-12-19)18-14(20)16(4)9-5-6-10-17-16/h13,17H,5-12H2,1-4H3,(H,18,20)
InChIKeyNGXZVUMVADJSTP-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.90
Rot. Bonds2

About N-(1-tert-butylpiperidin-4-yl)-2-methylpiperidine-2-carboxamide

N-(1-tert-butylpiperidin-4-yl)-2-methylpiperidine-2-carboxamide (PubChem CID 104596354) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-(1-tert-butylpiperidin-4-yl)-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butylpiperidin-4-yl)-2-methylpiperidine-2-carboxamide
PubChem CID104596354
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-(1-tert-butylpiperidin-4-yl)-2-methylpiperidine-2-carboxamide
SMILESCC1(C(=O)NC2CCN(C(C)(C)C)CC2)CCCCN1
InChIInChI=1S/C16H31N3O/c1-15(2,3)19-11-7-13(8-12-19)18-14(20)16(4)9-5-6-10-17-16/h13,17H,5-12H2,1-4H3,(H,18,20)
InChIKeyNGXZVUMVADJSTP-UHFFFAOYSA-N
XLogP1.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpiperidin-4-yl)-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-(1-tert-butylpiperidin-4-yl)-2-methylpiperidine-2-carboxamide (CID 104596354) is N-(1-tert-butylpiperidin-4-yl)-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(1-tert-butylpiperidin-4-yl)-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(1-tert-butylpiperidin-4-yl)-2-methylpiperidine-2-carboxamide is CC1(C(=O)NC2CCN(C(C)(C)C)CC2)CCCCN1.
What is the InChIKey of N-(1-tert-butylpiperidin-4-yl)-2-methylpiperidine-2-carboxamide?
The InChIKey is NGXZVUMVADJSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-15(2,3)19-11-7-13(8-12-19)18-14(20)16(4)9-5-6-10-17-16/h13,17H,5-12H2,1-4H3,(H,18,20).
What are the key properties of N-(1-tert-butylpiperidin-4-yl)-2-methylpiperidine-2-carboxamide?
N-(1-tert-butylpiperidin-4-yl)-2-methylpiperidine-2-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpiperidin-4-yl)-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 104596354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).