2-(aminomethyl)-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]-4-methoxypiperidine-1-carboxamide

C20H31FN4O3 — CID 167977735

IUPAC2-(aminomethyl)-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]-4-methoxypiperidine-1-carboxamide
SMILESCOC1CCN(C(=O)NCCc2ccc(N3CCOCC3)c(F)c2)C(CN)C1
InChIInChI=1S/C20H31FN4O3/c1-27-17-5-7-25(16(13-17)14-22)20(26)23-6-4-15-2-3-19(18(21)12-15)24-8-10-28-11-9-24/h2-3,12,16-17H,4-11,13-14,22H2,1H3,(H,23,26)
InChIKeyDBRRSNZNMCRROS-UHFFFAOYSA-N
MW394.49 g/mol
LogP1.35
Rot. Bonds6

About 2-(aminomethyl)-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]-4-methoxypiperidine-1-carboxamide

2-(aminomethyl)-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]-4-methoxypiperidine-1-carboxamide (PubChem CID 167977735) has the molecular formula C20H31FN4O3 and a molecular weight of 394.49 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]-4-methoxypiperidine-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]-4-methoxypiperidine-1-carboxamide
PubChem CID167977735
Molecular FormulaC20H31FN4O3
Molecular Weight394.49 g/mol
Exact Mass394.24
IUPAC Name2-(aminomethyl)-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]-4-methoxypiperidine-1-carboxamide
SMILESCOC1CCN(C(=O)NCCc2ccc(N3CCOCC3)c(F)c2)C(CN)C1
InChIInChI=1S/C20H31FN4O3/c1-27-17-5-7-25(16(13-17)14-22)20(26)23-6-4-15-2-3-19(18(21)12-15)24-8-10-28-11-9-24/h2-3,12,16-17H,4-11,13-14,22H2,1H3,(H,23,26)
InChIKeyDBRRSNZNMCRROS-UHFFFAOYSA-N
XLogP1.35
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]-4-methoxypiperidine-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]-4-methoxypiperidine-1-carboxamide (CID 167977735) is 2-(aminomethyl)-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]-4-methoxypiperidine-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]-4-methoxypiperidine-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]-4-methoxypiperidine-1-carboxamide is COC1CCN(C(=O)NCCc2ccc(N3CCOCC3)c(F)c2)C(CN)C1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]-4-methoxypiperidine-1-carboxamide?
The InChIKey is DBRRSNZNMCRROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN4O3/c1-27-17-5-7-25(16(13-17)14-22)20(26)23-6-4-15-2-3-19(18(21)12-15)24-8-10-28-11-9-24/h2-3,12,16-17H,4-11,13-14,22H2,1H3,(H,23,26).
What are the key properties of 2-(aminomethyl)-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]-4-methoxypiperidine-1-carboxamide?
2-(aminomethyl)-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]-4-methoxypiperidine-1-carboxamide has a molecular weight of 394.49 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]-4-methoxypiperidine-1-carboxamide is sourced from PubChem (CID 167977735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).