3-amino-N-tert-butyl-5-methylpiperidine-1-carboxamide

C11H23N3O — CID 79994311

IUPAC3-amino-N-tert-butyl-5-methylpiperidine-1-carboxamide
SMILESCC1CC(N)CN(C(=O)NC(C)(C)C)C1
InChIInChI=1S/C11H23N3O/c1-8-5-9(12)7-14(6-8)10(15)13-11(2,3)4/h8-9H,5-7,12H2,1-4H3,(H,13,15)
InChIKeyKPCJQFMVSIURFG-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.16
Rot. Bonds

About 3-amino-N-tert-butyl-5-methylpiperidine-1-carboxamide

3-amino-N-tert-butyl-5-methylpiperidine-1-carboxamide (PubChem CID 79994311) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-amino-N-tert-butyl-5-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-tert-butyl-5-methylpiperidine-1-carboxamide
PubChem CID79994311
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-amino-N-tert-butyl-5-methylpiperidine-1-carboxamide
SMILESCC1CC(N)CN(C(=O)NC(C)(C)C)C1
InChIInChI=1S/C11H23N3O/c1-8-5-9(12)7-14(6-8)10(15)13-11(2,3)4/h8-9H,5-7,12H2,1-4H3,(H,13,15)
InChIKeyKPCJQFMVSIURFG-UHFFFAOYSA-N
XLogP1.16
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (3R,5S)-3-amino-5-methylpiperidine-1-carboxylate
CID 67986310
3-amino-N-cyclohexyl-5-methylpiperidine-1-carboxamide
CID 79993898
3-(4-aminopiperidin-1-yl)-N-tert-butylpyrrolidine-1-carboxamide
CID 80553798
(3-amino-5-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone
CID 79994551
3-amino-N-(2-fluorophenyl)-5-methylpiperidine-1-carboxamide
CID 79994443
(3-amino-5-methylpiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone
CID 107002279
(3-amino-5-methylpiperidin-1-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 114097099
3-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174638
2-methylpropyl 3-amino-5-methylpiperidine-1-carboxylate
CID 79994442
1-(3-amino-5-methylpiperidin-1-yl)-3-methylsulfanylpropan-1-one
CID 79994537
N-tert-butyl-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 115695099
1-(3-amino-5-methylpiperidin-1-yl)-2-methylpent-2-en-1-one
CID 79992618

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-tert-butyl-5-methylpiperidine-1-carboxamide?
The IUPAC name of 3-amino-N-tert-butyl-5-methylpiperidine-1-carboxamide (CID 79994311) is 3-amino-N-tert-butyl-5-methylpiperidine-1-carboxamide.
What is the SMILES notation for 3-amino-N-tert-butyl-5-methylpiperidine-1-carboxamide?
The canonical SMILES for 3-amino-N-tert-butyl-5-methylpiperidine-1-carboxamide is CC1CC(N)CN(C(=O)NC(C)(C)C)C1.
What is the InChIKey of 3-amino-N-tert-butyl-5-methylpiperidine-1-carboxamide?
The InChIKey is KPCJQFMVSIURFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-8-5-9(12)7-14(6-8)10(15)13-11(2,3)4/h8-9H,5-7,12H2,1-4H3,(H,13,15).
What are the key properties of 3-amino-N-tert-butyl-5-methylpiperidine-1-carboxamide?
3-amino-N-tert-butyl-5-methylpiperidine-1-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-tert-butyl-5-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79994311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).