2-cyclopentyl-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone

C21H31N3O2 — CID 124982918

IUPAC2-cyclopentyl-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC[C@H]1c1cccc(CN2CCOCC2)n1
InChIInChI=1S/C21H31N3O2/c25-21(15-17-5-1-2-6-17)24-10-4-9-20(24)19-8-3-7-18(22-19)16-23-11-13-26-14-12-23/h3,7-8,17,20H,1-2,4-6,9-16H2/t20-/m0/s1
InChIKeyNAKATUYQKAEHNQ-FQEVSTJZSA-N
MW357.50 g/mol
LogP3.16
Rot. Bonds5

About 2-cyclopentyl-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone

2-cyclopentyl-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone (PubChem CID 124982918) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-cyclopentyl-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
PubChem CID124982918
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name2-cyclopentyl-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC[C@H]1c1cccc(CN2CCOCC2)n1
InChIInChI=1S/C21H31N3O2/c25-21(15-17-5-1-2-6-17)24-10-4-9-20(24)19-8-3-7-18(22-19)16-23-11-13-26-14-12-23/h3,7-8,17,20H,1-2,4-6,9-16H2/t20-/m0/s1
InChIKeyNAKATUYQKAEHNQ-FQEVSTJZSA-N
XLogP3.16
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentyl-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

3-methoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 124978104
2-ethoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 125022977
N-[[6-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125024071
(1-methylpyrrol-2-yl)-[2-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 110107646
[2-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 110107647
1-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 125001192
(1-methylpyrazol-3-yl)-[(2S)-2-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124956644
2-cyclopentyl-1-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110248296
N-[[6-[1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095780
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone
CID 110254483
N-[[6-[(2S)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125019005
1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(1-pyrimidin-2-ylpiperidin-4-yl)ethanone
CID 110152781

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone (CID 124982918) is 2-cyclopentyl-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone is O=C(CC1CCCC1)N1CCC[C@H]1c1cccc(CN2CCOCC2)n1.
What is the InChIKey of 2-cyclopentyl-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The InChIKey is NAKATUYQKAEHNQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H31N3O2/c25-21(15-17-5-1-2-6-17)24-10-4-9-20(24)19-8-3-7-18(22-19)16-23-11-13-26-14-12-23/h3,7-8,17,20H,1-2,4-6,9-16H2/t20-/m0/s1.
What are the key properties of 2-cyclopentyl-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
2-cyclopentyl-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone has a molecular weight of 357.50 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124982918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).