4-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide

C18H35N3O — CID 44579548

IUPAC4-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H35N3O/c1-18(2,3)16-8-12-21(13-9-16)17(22)19(4)14-15-20-10-6-5-7-11-20/h16H,5-15H2,1-4H3
InChIKeyOMSWMMOJUVZXGB-UHFFFAOYSA-N
MW309.50 g/mol
LogP3.28
Rot. Bonds3

About 4-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide

4-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide (PubChem CID 44579548) has the molecular formula C18H35N3O and a molecular weight of 309.50 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide
PubChem CID44579548
Molecular FormulaC18H35N3O
Molecular Weight309.50 g/mol
Exact Mass309.28
IUPAC Name4-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H35N3O/c1-18(2,3)16-8-12-21(13-9-16)17(22)19(4)14-15-20-10-6-5-7-11-20/h16H,5-15H2,1-4H3
InChIKeyOMSWMMOJUVZXGB-UHFFFAOYSA-N
XLogP3.28
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 53.28
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-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide (CID 44579548) is 4-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide is CN(CCN1CCCCC1)C(=O)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide?
The InChIKey is OMSWMMOJUVZXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O/c1-18(2,3)16-8-12-21(13-9-16)17(22)19(4)14-15-20-10-6-5-7-11-20/h16H,5-15H2,1-4H3.
What are the key properties of 4-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide?
4-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide has a molecular weight of 309.50 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 44579548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).