(3-chlorophenyl)-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone

C21H24ClN3O3 — CID 155504237

IUPAC(3-chlorophenyl)-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1
InChIInChI=1S/C21H24ClN3O3/c22-18-5-1-3-16(13-18)21(26)25-9-12-28-19(15-24-7-10-27-11-8-24)20(25)17-4-2-6-23-14-17/h1-6,13-14,19-20H,7-12,15H2/t19-,20-/m0/s1
InChIKeyKGYSBNVMHVITLT-PMACEKPBSA-N
MW401.89 g/mol
LogP2.65
Rot. Bonds4

About (3-chlorophenyl)-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone

(3-chlorophenyl)-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone (PubChem CID 155504237) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is (3-chlorophenyl)-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone
PubChem CID155504237
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name(3-chlorophenyl)-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1
InChIInChI=1S/C21H24ClN3O3/c22-18-5-1-3-16(13-18)21(26)25-9-12-28-19(15-24-7-10-27-11-8-24)20(25)17-4-2-6-23-14-17/h1-6,13-14,19-20H,7-12,15H2/t19-,20-/m0/s1
InChIKeyKGYSBNVMHVITLT-PMACEKPBSA-N
XLogP2.65
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-chlorophenyl)-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone (CID 155504237) is (3-chlorophenyl)-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone is O=C(c1cccc(Cl)c1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1.
What is the InChIKey of (3-chlorophenyl)-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone?
The InChIKey is KGYSBNVMHVITLT-PMACEKPBSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c22-18-5-1-3-16(13-18)21(26)25-9-12-28-19(15-24-7-10-27-11-8-24)20(25)17-4-2-6-23-14-17/h1-6,13-14,19-20H,7-12,15H2/t19-,20-/m0/s1.
What are the key properties of (3-chlorophenyl)-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone?
(3-chlorophenyl)-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone has a molecular weight of 401.89 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone is sourced from PubChem (CID 155504237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).