2-(cyclopentylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C14H24N2O2 — CID 114409711

IUPAC2-(cyclopentylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCOCC1=CCN(C(=O)CNC2CCCC2)CC1
InChIInChI=1S/C14H24N2O2/c1-18-11-12-6-8-16(9-7-12)14(17)10-15-13-4-2-3-5-13/h6,13,15H,2-5,7-11H2,1H3
InChIKeyMNUQBROHFLUTAH-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.32
Rot. Bonds5

About 2-(cyclopentylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

2-(cyclopentylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 114409711) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(cyclopentylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclopentylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID114409711
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-(cyclopentylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCOCC1=CCN(C(=O)CNC2CCCC2)CC1
InChIInChI=1S/C14H24N2O2/c1-18-11-12-6-8-16(9-7-12)14(17)10-15-13-4-2-3-5-13/h6,13,15H,2-5,7-11H2,1H3
InChIKeyMNUQBROHFLUTAH-UHFFFAOYSA-N
XLogP1.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 2-(cyclopentylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 114409711) is 2-(cyclopentylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclopentylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 2-(cyclopentylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is COCC1=CCN(C(=O)CNC2CCCC2)CC1.
What is the InChIKey of 2-(cyclopentylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is MNUQBROHFLUTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-18-11-12-6-8-16(9-7-12)14(17)10-15-13-4-2-3-5-13/h6,13,15H,2-5,7-11H2,1H3.
What are the key properties of 2-(cyclopentylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
2-(cyclopentylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 252.36 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 114409711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).