N-[cyclopentyl-(4-fluorophenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide

C19H27FN2O2 — CID 78892089

IUPACN-[cyclopentyl-(4-fluorophenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide
SMILESCC1(C)CN(C(=O)NC(c2ccc(F)cc2)C2CCCC2)CCO1
InChIInChI=1S/C19H27FN2O2/c1-19(2)13-22(11-12-24-19)18(23)21-17(14-5-3-4-6-14)15-7-9-16(20)10-8-15/h7-10,14,17H,3-6,11-13H2,1-2H3,(H,21,23)
InChIKeyGMSMZPOZZSXYQJ-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.88
Rot. Bonds3

About N-[cyclopentyl-(4-fluorophenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide

N-[cyclopentyl-(4-fluorophenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide (PubChem CID 78892089) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[cyclopentyl-(4-fluorophenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[cyclopentyl-(4-fluorophenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide
PubChem CID78892089
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC NameN-[cyclopentyl-(4-fluorophenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide
SMILESCC1(C)CN(C(=O)NC(c2ccc(F)cc2)C2CCCC2)CCO1
InChIInChI=1S/C19H27FN2O2/c1-19(2)13-22(11-12-24-19)18(23)21-17(14-5-3-4-6-14)15-7-9-16(20)10-8-15/h7-10,14,17H,3-6,11-13H2,1-2H3,(H,21,23)
InChIKeyGMSMZPOZZSXYQJ-UHFFFAOYSA-N
XLogP3.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438322
N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438681
N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 99619266
N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 95598616
1-[[cyclobutyl-(4-fluorophenyl)methyl]carbamoyl]piperidine-3-carboxylic acid
CID 122000877
N-[(S)-cyclobutyl-(4-fluorophenyl)methyl]-4-ethoxypiperidine-1-carboxamide
CID 95573108
(3R)-N-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95977904
(2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-phenylacetic acid
CID 61202574
N-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide
CID 86880652
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-4-methylsulfonylazepane-1-carboxamide
CID 167769059
4-cyclopentyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide
CID 60547818
1-tert-butyl-3-[cyclopentyl-(4-fluorophenyl)methyl]urea
CID 112840360

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-(4-fluorophenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-[cyclopentyl-(4-fluorophenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide (CID 78892089) is N-[cyclopentyl-(4-fluorophenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[cyclopentyl-(4-fluorophenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[cyclopentyl-(4-fluorophenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide is CC1(C)CN(C(=O)NC(c2ccc(F)cc2)C2CCCC2)CCO1.
What is the InChIKey of N-[cyclopentyl-(4-fluorophenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide?
The InChIKey is GMSMZPOZZSXYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-19(2)13-22(11-12-24-19)18(23)21-17(14-5-3-4-6-14)15-7-9-16(20)10-8-15/h7-10,14,17H,3-6,11-13H2,1-2H3,(H,21,23).
What are the key properties of N-[cyclopentyl-(4-fluorophenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide?
N-[cyclopentyl-(4-fluorophenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-(4-fluorophenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 78892089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).