N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide

C14H23N3O3 — CID 81213090

IUPACN-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
SMILESCC1COC(CO)CN1CC(=O)NC1(C#N)CCCC1
InChIInChI=1S/C14H23N3O3/c1-11-9-20-12(8-18)6-17(11)7-13(19)16-14(10-15)4-2-3-5-14/h11-12,18H,2-9H2,1H3,(H,16,19)
InChIKeyNSPPVYCRQKATIW-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.02
Rot. Bonds4

About N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide

N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide (PubChem CID 81213090) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
PubChem CID81213090
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
SMILESCC1COC(CO)CN1CC(=O)NC1(C#N)CCCC1
InChIInChI=1S/C14H23N3O3/c1-11-9-20-12(8-18)6-17(11)7-13(19)16-14(10-15)4-2-3-5-14/h11-12,18H,2-9H2,1H3,(H,16,19)
InChIKeyNSPPVYCRQKATIW-UHFFFAOYSA-N
XLogP0.02
TPSA85.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyanocycloheptyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102789059
N-(1-cyanocyclopentyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8899292
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-one
CID 81204259
N-(3-cyanothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
CID 81214186
N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62015517
N-(1-cyanocyclopentyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755298
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-2-one
CID 81204330
1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclohexane-1-carbonitrile
CID 81203042
N-(1-cyanocyclopentyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903348
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-one
CID 107507511
N-(1-cyanocycloheptyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
CID 95611845
N-(1-cyanocyclohexyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 51227395

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide (CID 81213090) is N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide is CC1COC(CO)CN1CC(=O)NC1(C#N)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide?
The InChIKey is NSPPVYCRQKATIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-11-9-20-12(8-18)6-17(11)7-13(19)16-14(10-15)4-2-3-5-14/h11-12,18H,2-9H2,1H3,(H,16,19).
What are the key properties of N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide?
N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide has a molecular weight of 281.36 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide is sourced from PubChem (CID 81213090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).