[4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone

C15H21N3O2 — CID 155800017

IUPAC[4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CN(Cc2cccnc2)CCO1)N1CCCC1
InChIInChI=1S/C15H21N3O2/c19-15(18-6-1-2-7-18)14-12-17(8-9-20-14)11-13-4-3-5-16-10-13/h3-5,10,14H,1-2,6-9,11-12H2
InChIKeyYDZNXVOGNXPWFK-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.90
Rot. Bonds3

About [4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone

[4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 155800017) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is [4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID155800017
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name[4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CN(Cc2cccnc2)CCO1)N1CCCC1
InChIInChI=1S/C15H21N3O2/c19-15(18-6-1-2-7-18)14-12-17(8-9-20-14)11-13-4-3-5-16-10-13/h3-5,10,14H,1-2,6-9,11-12H2
InChIKeyYDZNXVOGNXPWFK-UHFFFAOYSA-N
XLogP0.90
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800439
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800618
[(2S)-4-benzylmorpholin-2-yl]-[(4R)-4-methylazepan-1-yl]methanone
CID 97023605
[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97383873
[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-piperidin-1-ylmethanone
CID 110246430
1-methyl-4-[[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]methyl]pyridin-2-one
CID 155974237
[4-[(2-chloro-6-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800553
piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56870645
azocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96573815
[4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholin-2-yl]-piperidin-1-ylmethanone
CID 146079568
[(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136580768
(4S)-4-(1,4-oxazepane-4-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 97202475

Frequently Asked Questions

What is the IUPAC name of [4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone (CID 155800017) is [4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone is O=C(C1CN(Cc2cccnc2)CCO1)N1CCCC1.
What is the InChIKey of [4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YDZNXVOGNXPWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-15(18-6-1-2-7-18)14-12-17(8-9-20-14)11-13-4-3-5-16-10-13/h3-5,10,14H,1-2,6-9,11-12H2.
What are the key properties of [4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
[4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 275.35 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 155800017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).