N-[2-(1-methylpiperidin-3-yl)ethyl]pyrrolidine-3-carboxamide

C13H25N3O — CID 115159602

IUPACN-[2-(1-methylpiperidin-3-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCN1CCCC(CCNC(=O)C2CCNC2)C1
InChIInChI=1S/C13H25N3O/c1-16-8-2-3-11(10-16)4-7-15-13(17)12-5-6-14-9-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyJZRVPZWQPXYDDG-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.44
Rot. Bonds4

About N-[2-(1-methylpiperidin-3-yl)ethyl]pyrrolidine-3-carboxamide

N-[2-(1-methylpiperidin-3-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 115159602) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-3-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-3-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID115159602
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[2-(1-methylpiperidin-3-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCN1CCCC(CCNC(=O)C2CCNC2)C1
InChIInChI=1S/C13H25N3O/c1-16-8-2-3-11(10-16)4-7-15-13(17)12-5-6-14-9-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyJZRVPZWQPXYDDG-UHFFFAOYSA-N
XLogP0.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-3-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(1-methylpiperidin-3-yl)ethyl]pyrrolidine-3-carboxamide (CID 115159602) is N-[2-(1-methylpiperidin-3-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(1-methylpiperidin-3-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(1-methylpiperidin-3-yl)ethyl]pyrrolidine-3-carboxamide is CN1CCCC(CCNC(=O)C2CCNC2)C1.
What is the InChIKey of N-[2-(1-methylpiperidin-3-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is JZRVPZWQPXYDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-16-8-2-3-11(10-16)4-7-15-13(17)12-5-6-14-9-12/h11-12,14H,2-10H2,1H3,(H,15,17).
What are the key properties of N-[2-(1-methylpiperidin-3-yl)ethyl]pyrrolidine-3-carboxamide?
N-[2-(1-methylpiperidin-3-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-3-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 115159602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).