2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide

C13H25N5O2 — CID 80553182

IUPAC2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C13H25N5O2/c1-15-13(20)16-12(19)9-17-5-4-11(8-17)18-6-2-10(14)3-7-18/h10-11H,2-9,14H2,1H3,(H2,15,16,19,20)
InChIKeyIHIPGTXQYFWSTE-UHFFFAOYSA-N
MW283.38 g/mol
LogP-1.06
Rot. Bonds3

About 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide

2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide (PubChem CID 80553182) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
PubChem CID80553182
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC Name2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C13H25N5O2/c1-15-13(20)16-12(19)9-17-5-4-11(8-17)18-6-2-10(14)3-7-18/h10-11H,2-9,14H2,1H3,(H2,15,16,19,20)
InChIKeyIHIPGTXQYFWSTE-UHFFFAOYSA-N
XLogP-1.06
TPSA90.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-aminopiperidin-1-yl)-N-(methylcarbamoyl)acetamide
CID 61296110
2-(4-amino-3-ethylpiperidin-1-yl)-N-(methylcarbamoyl)acetamide
CID 81460476
2-[3-(aminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119915605
2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide
CID 94340497
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 112630035
2-(3-hydroxy-4-methylpiperidin-1-yl)-N-(methylcarbamoyl)acetamide
CID 103898599
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 119923266
3-[(3R)-3-aminopyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride
CID 119905056
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119922349
1-(1-ethylpyrrolidin-3-yl)piperidin-4-amine
CID 80552786
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 80552650
2-[3-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119914462

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide (CID 80553182) is 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CN1CCC(N2CCC(N)CC2)C1.
What is the InChIKey of 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide?
The InChIKey is IHIPGTXQYFWSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-15-13(20)16-12(19)9-17-5-4-11(8-17)18-6-2-10(14)3-7-18/h10-11H,2-9,14H2,1H3,(H2,15,16,19,20).
What are the key properties of 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide?
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide has a molecular weight of 283.38 g/mol, XLogP of -1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 80553182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).