N-tert-butyl-1-propan-2-ylpiperidine-4-carboxamide

C13H26N2O — CID 155453359

IUPACN-tert-butyl-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N1CCC(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-10(2)15-8-6-11(7-9-15)12(16)14-13(3,4)5/h10-11H,6-9H2,1-5H3,(H,14,16)
InChIKeyWRLIGUWLXHAOSE-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds2

About N-tert-butyl-1-propan-2-ylpiperidine-4-carboxamide

N-tert-butyl-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 155453359) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-tert-butyl-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID155453359
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-tert-butyl-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N1CCC(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-10(2)15-8-6-11(7-9-15)12(16)14-13(3,4)5/h10-11H,6-9H2,1-5H3,(H,14,16)
InChIKeyWRLIGUWLXHAOSE-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 177135939
1-acetyl-N-tert-butylpiperidine-4-carboxamide
CID 17148671
4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 60779224
N-tert-butyl-1-(3-methylbutyl)piperidine-4-carboxamide
CID 51362667
N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide
CID 25236585
N-tert-butylcyclooctanecarboxamide
CID 65022804
4-N-tert-butyl-1-N-cyclopropylpiperidine-1,4-dicarboxamide
CID 47238287
N-tert-butyl-1-(cyclohexanecarbonyl)piperidine-4-carboxamide
CID 113005394
N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane
CID 169158864
N-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 28955653
(3R)-N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide
CID 130272211
methyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60676690

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-tert-butyl-1-propan-2-ylpiperidine-4-carboxamide (CID 155453359) is N-tert-butyl-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-1-propan-2-ylpiperidine-4-carboxamide is CC(C)N1CCC(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is WRLIGUWLXHAOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)15-8-6-11(7-9-15)12(16)14-13(3,4)5/h10-11H,6-9H2,1-5H3,(H,14,16).
What are the key properties of N-tert-butyl-1-propan-2-ylpiperidine-4-carboxamide?
N-tert-butyl-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 155453359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).