(1R,2R,4R)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide

C29H32FN3O2 — CID 84973024

IUPAC(1R,2R,4R)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide
SMILESO=C(NC(c1ccncc1)c1ccc(F)cc1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccccc1
InChIInChI=1S/C29H32FN3O2/c30-24-8-6-22(7-9-24)28(23-12-14-31-15-13-23)32-29(34)26-11-10-25(33-16-18-35-19-17-33)20-27(26)21-4-2-1-3-5-21/h1-9,12-15,25-28H,10-11,16-20H2,(H,32,34)/t25-,26-,27+,28?/m1/s1
InChIKeySFHYZDSDVCGBFG-WRENHGGMSA-N
MW473.59 g/mol
LogP4.71
Rot. Bonds6

About (1R,2R,4R)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide

(1R,2R,4R)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide (PubChem CID 84973024) has the molecular formula C29H32FN3O2 and a molecular weight of 473.59 g/mol. Its IUPAC name is (1R,2R,4R)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R,2R,4R)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide
PubChem CID84973024
Molecular FormulaC29H32FN3O2
Molecular Weight473.59 g/mol
Exact Mass473.25
IUPAC Name(1R,2R,4R)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide
SMILESO=C(NC(c1ccncc1)c1ccc(F)cc1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccccc1
InChIInChI=1S/C29H32FN3O2/c30-24-8-6-22(7-9-24)28(23-12-14-31-15-13-23)32-29(34)26-11-10-25(33-16-18-35-19-17-33)20-27(26)21-4-2-1-3-5-21/h1-9,12-15,25-28H,10-11,16-20H2,(H,32,34)/t25-,26-,27+,28?/m1/s1
InChIKeySFHYZDSDVCGBFG-WRENHGGMSA-N
XLogP4.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.59
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,2R,4R)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide 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 (1R,2R,4R)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide?
The IUPAC name of (1R,2R,4R)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide (CID 84973024) is (1R,2R,4R)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for (1R,2R,4R)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide?
The canonical SMILES for (1R,2R,4R)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide is O=C(NC(c1ccncc1)c1ccc(F)cc1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccccc1.
What is the InChIKey of (1R,2R,4R)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide?
The InChIKey is SFHYZDSDVCGBFG-WRENHGGMSA-N. The full InChI is InChI=1S/C29H32FN3O2/c30-24-8-6-22(7-9-24)28(23-12-14-31-15-13-23)32-29(34)26-11-10-25(33-16-18-35-19-17-33)20-27(26)21-4-2-1-3-5-21/h1-9,12-15,25-28H,10-11,16-20H2,(H,32,34)/t25-,26-,27+,28?/m1/s1.
What are the key properties of (1R,2R,4R)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide?
(1R,2R,4R)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide has a molecular weight of 473.59 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 84973024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).