3-(cyclopropylamino)-5-(methoxymethyl)piperidine-1-carboxamide

C11H21N3O2 — CID 171091424

IUPAC3-(cyclopropylamino)-5-(methoxymethyl)piperidine-1-carboxamide
SMILESCOCC1CC(NC2CC2)CN(C(N)=O)C1
InChIInChI=1S/C11H21N3O2/c1-16-7-8-4-10(13-9-2-3-9)6-14(5-8)11(12)15/h8-10,13H,2-7H2,1H3,(H2,12,15)
InChIKeyPEGRSDQXOOLQPC-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.15
Rot. Bonds4

About 3-(cyclopropylamino)-5-(methoxymethyl)piperidine-1-carboxamide

3-(cyclopropylamino)-5-(methoxymethyl)piperidine-1-carboxamide (PubChem CID 171091424) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(cyclopropylamino)-5-(methoxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-5-(methoxymethyl)piperidine-1-carboxamide
PubChem CID171091424
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name3-(cyclopropylamino)-5-(methoxymethyl)piperidine-1-carboxamide
SMILESCOCC1CC(NC2CC2)CN(C(N)=O)C1
InChIInChI=1S/C11H21N3O2/c1-16-7-8-4-10(13-9-2-3-9)6-14(5-8)11(12)15/h8-10,13H,2-7H2,1H3,(H2,12,15)
InChIKeyPEGRSDQXOOLQPC-UHFFFAOYSA-N
XLogP0.15
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-5-(methoxymethyl)piperidine-1-carboxamide?
The IUPAC name of 3-(cyclopropylamino)-5-(methoxymethyl)piperidine-1-carboxamide (CID 171091424) is 3-(cyclopropylamino)-5-(methoxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(cyclopropylamino)-5-(methoxymethyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(cyclopropylamino)-5-(methoxymethyl)piperidine-1-carboxamide is COCC1CC(NC2CC2)CN(C(N)=O)C1.
What is the InChIKey of 3-(cyclopropylamino)-5-(methoxymethyl)piperidine-1-carboxamide?
The InChIKey is PEGRSDQXOOLQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-16-7-8-4-10(13-9-2-3-9)6-14(5-8)11(12)15/h8-10,13H,2-7H2,1H3,(H2,12,15).
What are the key properties of 3-(cyclopropylamino)-5-(methoxymethyl)piperidine-1-carboxamide?
3-(cyclopropylamino)-5-(methoxymethyl)piperidine-1-carboxamide has a molecular weight of 227.31 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-5-(methoxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 171091424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).