1-amino-N-(1-tert-butylpiperidin-4-yl)cyclopropane-1-carboxamide

C13H25N3O — CID 65465095

IUPAC1-amino-N-(1-tert-butylpiperidin-4-yl)cyclopropane-1-carboxamide
SMILESCC(C)(C)N1CCC(NC(=O)C2(N)CC2)CC1
InChIInChI=1S/C13H25N3O/c1-12(2,3)16-8-4-10(5-9-16)15-11(17)13(14)6-7-13/h10H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyMMWBBGRZJYEKIB-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.86
Rot. Bonds2

About 1-amino-N-(1-tert-butylpiperidin-4-yl)cyclopropane-1-carboxamide

1-amino-N-(1-tert-butylpiperidin-4-yl)cyclopropane-1-carboxamide (PubChem CID 65465095) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-amino-N-(1-tert-butylpiperidin-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(1-tert-butylpiperidin-4-yl)cyclopropane-1-carboxamide
PubChem CID65465095
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-amino-N-(1-tert-butylpiperidin-4-yl)cyclopropane-1-carboxamide
SMILESCC(C)(C)N1CCC(NC(=O)C2(N)CC2)CC1
InChIInChI=1S/C13H25N3O/c1-12(2,3)16-8-4-10(5-9-16)15-11(17)13(14)6-7-13/h10H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyMMWBBGRZJYEKIB-UHFFFAOYSA-N
XLogP0.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1-tert-butylpiperidin-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(1-tert-butylpiperidin-4-yl)cyclopropane-1-carboxamide (CID 65465095) is 1-amino-N-(1-tert-butylpiperidin-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(1-tert-butylpiperidin-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(1-tert-butylpiperidin-4-yl)cyclopropane-1-carboxamide is CC(C)(C)N1CCC(NC(=O)C2(N)CC2)CC1.
What is the InChIKey of 1-amino-N-(1-tert-butylpiperidin-4-yl)cyclopropane-1-carboxamide?
The InChIKey is MMWBBGRZJYEKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-12(2,3)16-8-4-10(5-9-16)15-11(17)13(14)6-7-13/h10H,4-9,14H2,1-3H3,(H,15,17).
What are the key properties of 1-amino-N-(1-tert-butylpiperidin-4-yl)cyclopropane-1-carboxamide?
1-amino-N-(1-tert-butylpiperidin-4-yl)cyclopropane-1-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(1-tert-butylpiperidin-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 65465095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).