N-methyl-4-[1-[2-(methylamino)acetyl]pyrrolidin-3-yl]piperidine-1-carboxamide

C14H26N4O2 — CID 91921352

IUPACN-methyl-4-[1-[2-(methylamino)acetyl]pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCNCC(=O)N1CCC(C2CCN(C(=O)NC)CC2)C1
InChIInChI=1S/C14H26N4O2/c1-15-9-13(19)18-8-5-12(10-18)11-3-6-17(7-4-11)14(20)16-2/h11-12,15H,3-10H2,1-2H3,(H,16,20)
InChIKeyNAOVDUNJAIJQHE-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.11
Rot. Bonds3

About N-methyl-4-[1-[2-(methylamino)acetyl]pyrrolidin-3-yl]piperidine-1-carboxamide

N-methyl-4-[1-[2-(methylamino)acetyl]pyrrolidin-3-yl]piperidine-1-carboxamide (PubChem CID 91921352) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-methyl-4-[1-[2-(methylamino)acetyl]pyrrolidin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[1-[2-(methylamino)acetyl]pyrrolidin-3-yl]piperidine-1-carboxamide
PubChem CID91921352
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC NameN-methyl-4-[1-[2-(methylamino)acetyl]pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCNCC(=O)N1CCC(C2CCN(C(=O)NC)CC2)C1
InChIInChI=1S/C14H26N4O2/c1-15-9-13(19)18-8-5-12(10-18)11-3-6-17(7-4-11)14(20)16-2/h11-12,15H,3-10H2,1-2H3,(H,16,20)
InChIKeyNAOVDUNJAIJQHE-UHFFFAOYSA-N
XLogP0.11
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-[2-(methylamino)acetyl]pyrrolidin-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-methyl-4-[1-[2-(methylamino)acetyl]pyrrolidin-3-yl]piperidine-1-carboxamide (CID 91921352) is N-methyl-4-[1-[2-(methylamino)acetyl]pyrrolidin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-4-[1-[2-(methylamino)acetyl]pyrrolidin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-methyl-4-[1-[2-(methylamino)acetyl]pyrrolidin-3-yl]piperidine-1-carboxamide is CNCC(=O)N1CCC(C2CCN(C(=O)NC)CC2)C1.
What is the InChIKey of N-methyl-4-[1-[2-(methylamino)acetyl]pyrrolidin-3-yl]piperidine-1-carboxamide?
The InChIKey is NAOVDUNJAIJQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-15-9-13(19)18-8-5-12(10-18)11-3-6-17(7-4-11)14(20)16-2/h11-12,15H,3-10H2,1-2H3,(H,16,20).
What are the key properties of N-methyl-4-[1-[2-(methylamino)acetyl]pyrrolidin-3-yl]piperidine-1-carboxamide?
N-methyl-4-[1-[2-(methylamino)acetyl]pyrrolidin-3-yl]piperidine-1-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-[2-(methylamino)acetyl]pyrrolidin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91921352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).