1-tert-butylpiperidine-3-carboxamide

C10H20N2O — CID 59656300

IUPAC1-tert-butylpiperidine-3-carboxamide
SMILESCC(C)(C)N1CCCC(C(N)=O)C1
InChIInChI=1S/C10H20N2O/c1-10(2,3)12-6-4-5-8(7-12)9(11)13/h8H,4-7H2,1-3H3,(H2,11,13)
InChIKeyHNUPUXMLSOSSDY-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.98
Rot. Bonds1

About 1-tert-butylpiperidine-3-carboxamide

1-tert-butylpiperidine-3-carboxamide (PubChem CID 59656300) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-tert-butylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butylpiperidine-3-carboxamide
PubChem CID59656300
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-tert-butylpiperidine-3-carboxamide
SMILESCC(C)(C)N1CCCC(C(N)=O)C1
InChIInChI=1S/C10H20N2O/c1-10(2,3)12-6-4-5-8(7-12)9(11)13/h8H,4-7H2,1-3H3,(H2,11,13)
InChIKeyHNUPUXMLSOSSDY-UHFFFAOYSA-N
XLogP0.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-tert-butylpyrrolidine-3-carboxamide
CID 59439118
1-tert-butyl-N,N-dimethylpiperidine-3-carboxamide
CID 58877729
1-tert-butyl-N-methylpiperidine-3-carboxamide
CID 165376853
(3R)-1-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 58877777
1-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 21060232
1-tert-butylpyrrolidine-3-carbothioamide
CID 172787377
CID 88930738
CID 88930738
1-methanidylpiperidine-3-carboxamide
CID 23545608
(3R)-1-propan-2-ylpiperidine-3-carboxamide
CID 58431105
(3R)-1-methylsulfonylpiperidine-3-carboxamide
CID 92512001
1-(2-hydroxy-2,3-dimethylbutyl)piperidine-3-carboxamide
CID 114447589
1-sulfamoylpiperidine-3-carboxamide
CID 43132049

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpiperidine-3-carboxamide?
The IUPAC name of 1-tert-butylpiperidine-3-carboxamide (CID 59656300) is 1-tert-butylpiperidine-3-carboxamide.
What is the SMILES notation for 1-tert-butylpiperidine-3-carboxamide?
The canonical SMILES for 1-tert-butylpiperidine-3-carboxamide is CC(C)(C)N1CCCC(C(N)=O)C1.
What is the InChIKey of 1-tert-butylpiperidine-3-carboxamide?
The InChIKey is HNUPUXMLSOSSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-10(2,3)12-6-4-5-8(7-12)9(11)13/h8H,4-7H2,1-3H3,(H2,11,13).
What are the key properties of 1-tert-butylpiperidine-3-carboxamide?
1-tert-butylpiperidine-3-carboxamide has a molecular weight of 184.28 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpiperidine-3-carboxamide is sourced from PubChem (CID 59656300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).