[(2R,4S)-2-methyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone

C21H31N3O2 — CID 124729193

IUPAC[(2R,4S)-2-methyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
SMILESC[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C21H31N3O2/c1-17-13-20(23-7-2-3-8-23)16-24(17)21(25)19-6-4-5-18(14-19)15-22-9-11-26-12-10-22/h4-6,14,17,20H,2-3,7-13,15-16H2,1H3/t17-,20+/m1/s1
InChIKeyFXDLRNUUKUJOAD-XLIONFOSSA-N
MW357.50 g/mol
LogP2.22
Rot. Bonds4

About [(2R,4S)-2-methyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone

[(2R,4S)-2-methyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone (PubChem CID 124729193) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is [(2R,4S)-2-methyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[(2R,4S)-2-methyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
PubChem CID124729193
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name[(2R,4S)-2-methyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
SMILESC[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C21H31N3O2/c1-17-13-20(23-7-2-3-8-23)16-24(17)21(25)19-6-4-5-18(14-19)15-22-9-11-26-12-10-22/h4-6,14,17,20H,2-3,7-13,15-16H2,1H3/t17-,20+/m1/s1
InChIKeyFXDLRNUUKUJOAD-XLIONFOSSA-N
XLogP2.22
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-2-methyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone?
The IUPAC name of [(2R,4S)-2-methyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone (CID 124729193) is [(2R,4S)-2-methyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone.
What is the SMILES notation for [(2R,4S)-2-methyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone?
The canonical SMILES for [(2R,4S)-2-methyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone is C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cccc(CN2CCOCC2)c1.
What is the InChIKey of [(2R,4S)-2-methyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone?
The InChIKey is FXDLRNUUKUJOAD-XLIONFOSSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-17-13-20(23-7-2-3-8-23)16-24(17)21(25)19-6-4-5-18(14-19)15-22-9-11-26-12-10-22/h4-6,14,17,20H,2-3,7-13,15-16H2,1H3/t17-,20+/m1/s1.
What are the key properties of [(2R,4S)-2-methyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone?
[(2R,4S)-2-methyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone has a molecular weight of 357.50 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-2-methyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone is sourced from PubChem (CID 124729193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).