N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide

C16H22FN3O2 — CID 119862653

IUPACN-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide
SMILESO=C(NCC1CCN(c2ccc(F)cc2)C1)C1CNCCO1
InChIInChI=1S/C16H22FN3O2/c17-13-1-3-14(4-2-13)20-7-5-12(11-20)9-19-16(21)15-10-18-6-8-22-15/h1-4,12,15,18H,5-11H2,(H,19,21)
InChIKeyGDBJQJOZQAZYEC-UHFFFAOYSA-N
MW307.37 g/mol
LogP0.76
Rot. Bonds4

About N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide

N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide (PubChem CID 119862653) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide
PubChem CID119862653
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC NameN-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide
SMILESO=C(NCC1CCN(c2ccc(F)cc2)C1)C1CNCCO1
InChIInChI=1S/C16H22FN3O2/c17-13-1-3-14(4-2-13)20-7-5-12(11-20)9-19-16(21)15-10-18-6-8-22-15/h1-4,12,15,18H,5-11H2,(H,19,21)
InChIKeyGDBJQJOZQAZYEC-UHFFFAOYSA-N
XLogP0.76
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide
CID 119864049
N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride
CID 119898772
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 110414259
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-3-carboxamide;dihydrochloride
CID 119862600
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride
CID 119854716
N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride
CID 119866991
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 60583589
(2R)-N-(azetidin-3-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 130702713
3-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide
CID 119862617
3-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119862615
N-[(3-hydroxycyclopentyl)methyl]morpholine-2-carboxamide
CID 106134080
3,3,3-trifluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 122132458

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide (CID 119862653) is N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide is O=C(NCC1CCN(c2ccc(F)cc2)C1)C1CNCCO1.
What is the InChIKey of N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide?
The InChIKey is GDBJQJOZQAZYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c17-13-1-3-14(4-2-13)20-7-5-12(11-20)9-19-16(21)15-10-18-6-8-22-15/h1-4,12,15,18H,5-11H2,(H,19,21).
What are the key properties of N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide?
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide has a molecular weight of 307.37 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 119862653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).