N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide

C18H25FN2O3 — CID 71976445

IUPACN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCCC1)N1CCOC(CO)C1
InChIInChI=1S/C18H25FN2O3/c19-15-5-3-14(4-6-15)18(7-1-2-8-18)13-20-17(23)21-9-10-24-16(11-21)12-22/h3-6,16,22H,1-2,7-13H2,(H,20,23)
InChIKeySRBYBHOPCXLOKQ-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.04
Rot. Bonds4

About N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide

N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide (PubChem CID 71976445) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide
PubChem CID71976445
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC NameN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCCC1)N1CCOC(CO)C1
InChIInChI=1S/C18H25FN2O3/c19-15-5-3-14(4-6-15)18(7-1-2-8-18)13-20-17(23)21-9-10-24-16(11-21)12-22/h3-6,16,22H,1-2,7-13H2,(H,20,23)
InChIKeySRBYBHOPCXLOKQ-UHFFFAOYSA-N
XLogP2.04
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(4-fluoro-2-methylphenyl)piperidine-1-carboxamide
CID 129345351
N-[2-(4-fluorophenyl)cyclopentyl]morpholine-4-carboxamide
CID 71869654
(2S)-2-ethyl-N-[(1-phenylcyclopropyl)methyl]morpholine-4-carboxamide
CID 94048674
(2R)-2-(hydroxymethyl)-N-[(1-phenylcycloheptyl)methyl]morpholine-4-carboxamide
CID 96517468
(3S)-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-3-hydroxypiperidine-1-carboxamide
CID 136581348
N-[1-(3,4-difluorophenyl)ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide
CID 71861171
N-[2-(4-fluorophenyl)ethyl]-4-hydroxypiperidine-1-carboxamide
CID 45807622
N-[3-(4-fluorophenyl)propyl]-4-hydroxypiperidine-1-carboxamide
CID 118398439
(2R)-2-ethyl-N-[2-(4-fluorophenyl)ethyl]morpholine-4-carboxamide
CID 40011955
(2S)-2-ethyl-N-[2-(4-fluorophenyl)ethyl]morpholine-4-carboxamide
CID 40011956
N-[2-(4-fluorophenyl)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 42946353
2-ethyl-N-[2-(4-fluorophenyl)ethyl]morpholine-4-carboxamide
CID 42951372

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide (CID 71976445) is N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide is O=C(NCC1(c2ccc(F)cc2)CCCC1)N1CCOC(CO)C1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide?
The InChIKey is SRBYBHOPCXLOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c19-15-5-3-14(4-6-15)18(7-1-2-8-18)13-20-17(23)21-9-10-24-16(11-21)12-22/h3-6,16,22H,1-2,7-13H2,(H,20,23).
What are the key properties of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide?
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide has a molecular weight of 336.41 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide is sourced from PubChem (CID 71976445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).