3-(4-aminopiperidin-1-yl)-N-tert-butylpyrrolidine-1-carboxamide

C14H28N4O — CID 80553798

IUPAC3-(4-aminopiperidin-1-yl)-N-tert-butylpyrrolidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C14H28N4O/c1-14(2,3)16-13(19)18-9-6-12(10-18)17-7-4-11(15)5-8-17/h11-12H,4-10,15H2,1-3H3,(H,16,19)
InChIKeyJYJDWOSBKZIWNW-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.99
Rot. Bonds1

About 3-(4-aminopiperidin-1-yl)-N-tert-butylpyrrolidine-1-carboxamide

3-(4-aminopiperidin-1-yl)-N-tert-butylpyrrolidine-1-carboxamide (PubChem CID 80553798) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-(4-aminopiperidin-1-yl)-N-tert-butylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-aminopiperidin-1-yl)-N-tert-butylpyrrolidine-1-carboxamide
PubChem CID80553798
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name3-(4-aminopiperidin-1-yl)-N-tert-butylpyrrolidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C14H28N4O/c1-14(2,3)16-13(19)18-9-6-12(10-18)17-7-4-11(15)5-8-17/h11-12H,4-10,15H2,1-3H3,(H,16,19)
InChIKeyJYJDWOSBKZIWNW-UHFFFAOYSA-N
XLogP0.99
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-piperidin-1-ylpyrrolidine-1-carboxamide
CID 115695110
3-(4-aminopiperidin-1-yl)-N-cyclopropylpyrrolidine-1-carboxamide
CID 80553937
N-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 115585902
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 80553884
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propan-1-one
CID 80553918
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(azepan-1-yl)methanone
CID 80552459
N-tert-butyl-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 115695099
N-tert-butyl-3-propan-2-ylpyrrolidine-1-carboxamide
CID 115695172
3-amino-N-tert-butyl-5-methylpiperidine-1-carboxamide
CID 79994311
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclobutylethanone
CID 103165068
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 80553762
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 80553795

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopiperidin-1-yl)-N-tert-butylpyrrolidine-1-carboxamide?
The IUPAC name of 3-(4-aminopiperidin-1-yl)-N-tert-butylpyrrolidine-1-carboxamide (CID 80553798) is 3-(4-aminopiperidin-1-yl)-N-tert-butylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(4-aminopiperidin-1-yl)-N-tert-butylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-(4-aminopiperidin-1-yl)-N-tert-butylpyrrolidine-1-carboxamide is CC(C)(C)NC(=O)N1CCC(N2CCC(N)CC2)C1.
What is the InChIKey of 3-(4-aminopiperidin-1-yl)-N-tert-butylpyrrolidine-1-carboxamide?
The InChIKey is JYJDWOSBKZIWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-14(2,3)16-13(19)18-9-6-12(10-18)17-7-4-11(15)5-8-17/h11-12H,4-10,15H2,1-3H3,(H,16,19).
What are the key properties of 3-(4-aminopiperidin-1-yl)-N-tert-butylpyrrolidine-1-carboxamide?
3-(4-aminopiperidin-1-yl)-N-tert-butylpyrrolidine-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopiperidin-1-yl)-N-tert-butylpyrrolidine-1-carboxamide is sourced from PubChem (CID 80553798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).