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

C16H32N4O — CID 80553344

IUPAC2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-butylpropanamide
SMILESCCCCNC(=O)C(C)N1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C16H32N4O/c1-3-4-8-18-16(21)13(2)20-11-7-15(12-20)19-9-5-14(17)6-10-19/h13-15H,3-12,17H2,1-2H3,(H,18,21)
InChIKeyJNLVRYIDYHIUNZ-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.79
Rot. Bonds6

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

2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-butylpropanamide (PubChem CID 80553344) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-butylpropanamide.

Molecular Properties

Compound Name2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-butylpropanamide
PubChem CID80553344
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-butylpropanamide
SMILESCCCCNC(=O)C(C)N1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C16H32N4O/c1-3-4-8-18-16(21)13(2)20-11-7-15(12-20)19-9-5-14(17)6-10-19/h13-15H,3-12,17H2,1-2H3,(H,18,21)
InChIKeyJNLVRYIDYHIUNZ-UHFFFAOYSA-N
XLogP0.79
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-propylpropanamide
CID 80553139
2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide
CID 62068647
2-(3-aminoazetidin-1-yl)-N-butylpropanamide
CID 63760897
N-butyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62370682
N-butyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63854643
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-pentylpropanamide
CID 115647932
N-butyl-2-[3-(methylamino)piperidin-1-yl]propanamide
CID 55086301
N-butyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61204053
1-(1-heptan-4-ylpyrrolidin-3-yl)piperidin-4-amine
CID 80552662
2-[4-(1-aminoethyl)piperidin-1-yl]-N-pentylpropanamide
CID 63596247
methyl 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]butanoate
CID 80552988
N-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
CID 63847374

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-butylpropanamide?
The IUPAC name of 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-butylpropanamide (CID 80553344) is 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-butylpropanamide.
What is the SMILES notation for 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-butylpropanamide?
The canonical SMILES for 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-butylpropanamide is CCCCNC(=O)C(C)N1CCC(N2CCC(N)CC2)C1.
What is the InChIKey of 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-butylpropanamide?
The InChIKey is JNLVRYIDYHIUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-3-4-8-18-16(21)13(2)20-11-7-15(12-20)19-9-5-14(17)6-10-19/h13-15H,3-12,17H2,1-2H3,(H,18,21).
What are the key properties of 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-butylpropanamide?
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-butylpropanamide has a molecular weight of 296.46 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-butylpropanamide is sourced from PubChem (CID 80553344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).