4-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-2-carboxamide

C15H29N3O2 — CID 61214890

IUPAC4-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCCCN2CCCCC2C)C1
InChIInChI=1S/C15H29N3O2/c1-12-6-3-4-8-18(12)9-5-7-16-15(19)14-10-13(20-2)11-17-14/h12-14,17H,3-11H2,1-2H3,(H,16,19)
InChIKeyLYEMDCVHCUVWAH-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.74
Rot. Bonds6

About 4-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-2-carboxamide

4-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-2-carboxamide (PubChem CID 61214890) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-2-carboxamide
PubChem CID61214890
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name4-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCCCN2CCCCC2C)C1
InChIInChI=1S/C15H29N3O2/c1-12-6-3-4-8-18(12)9-5-7-16-15(19)14-10-13(20-2)11-17-14/h12-14,17H,3-11H2,1-2H3,(H,16,19)
InChIKeyLYEMDCVHCUVWAH-UHFFFAOYSA-N
XLogP0.74
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.74
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

4-hydroxy-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119852622
4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide
CID 114422620
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
6-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide
CID 24710095
N-(2-cyclohexylethyl)-4-methoxypyrrolidine-2-carboxamide
CID 61215073
4-methoxy-N-(4-methylpentyl)pyrrolidine-2-carboxamide
CID 61215245
N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119850930
4-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexane-1-carboxamide
CID 62782327
methyl 3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate
CID 43174199
2-[(4-methoxypyrrolidine-2-carbonyl)amino]ethyl carbamate
CID 83209217
1-[3-(2-methylpiperidin-1-yl)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62097465
3-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexane-1-carboxamide
CID 62781994

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-2-carboxamide (CID 61214890) is 4-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-2-carboxamide is COC1CNC(C(=O)NCCCN2CCCCC2C)C1.
What is the InChIKey of 4-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-2-carboxamide?
The InChIKey is LYEMDCVHCUVWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-12-6-3-4-8-18(12)9-5-7-16-15(19)14-10-13(20-2)11-17-14/h12-14,17H,3-11H2,1-2H3,(H,16,19).
What are the key properties of 4-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-2-carboxamide?
4-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-2-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61214890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).