N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboxamide

C20H30FN3O2 — CID 60551160

IUPACN-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCc2ccc(N3CC(C)OC(C)C3)c(F)c2)CC1
InChIInChI=1S/C20H30FN3O2/c1-14-6-8-23(9-7-14)20(25)22-11-17-4-5-19(18(21)10-17)24-12-15(2)26-16(3)13-24/h4-5,10,14-16H,6-9,11-13H2,1-3H3,(H,22,25)
InChIKeyDJLBLFQPISGUID-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.38
Rot. Bonds3

About N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboxamide

N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboxamide (PubChem CID 60551160) has the molecular formula C20H30FN3O2 and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboxamide
PubChem CID60551160
Molecular FormulaC20H30FN3O2
Molecular Weight363.48 g/mol
Exact Mass363.23
IUPAC NameN-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCc2ccc(N3CC(C)OC(C)C3)c(F)c2)CC1
InChIInChI=1S/C20H30FN3O2/c1-14-6-8-23(9-7-14)20(25)22-11-17-4-5-19(18(21)10-17)24-12-15(2)26-16(3)13-24/h4-5,10,14-16H,6-9,11-13H2,1-3H3,(H,22,25)
InChIKeyDJLBLFQPISGUID-UHFFFAOYSA-N
XLogP3.38
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]cyclobutanecarboxamide
CID 47062619
2-chloro-N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]acetamide
CID 96582200
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 55929700
1-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-[(2R)-2-hydroxypropyl]urea
CID 94679072
5-chloro-N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]furan-2-carboxamide
CID 55877945
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3,4-dimethylbenzamide
CID 55876400
N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-methylfuran-2-carboxamide
CID 94617347
4-carbamothioyl-N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]benzamide
CID 94840333
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 55876538
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-thiophen-2-ylacetamide
CID 55877812
tert-butyl 3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]piperidine-1-carboxylate
CID 55877557
4-cyano-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperidine-1-carboxamide
CID 48958028

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboxamide (CID 60551160) is N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)NCc2ccc(N3CC(C)OC(C)C3)c(F)c2)CC1.
What is the InChIKey of N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboxamide?
The InChIKey is DJLBLFQPISGUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O2/c1-14-6-8-23(9-7-14)20(25)22-11-17-4-5-19(18(21)10-17)24-12-15(2)26-16(3)13-24/h4-5,10,14-16H,6-9,11-13H2,1-3H3,(H,22,25).
What are the key properties of N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboxamide?
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboxamide has a molecular weight of 363.48 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 60551160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).