(3R)-1-[(3-fluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-3-carboxamide

C26H34FN3O3 — CID 52819283

IUPAC(3R)-1-[(3-fluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(OCCN2CCOCC2)c1)[C@@H]1CCCN(Cc2cccc(F)c2)C1
InChIInChI=1S/C26H34FN3O3/c27-24-7-1-5-22(16-24)19-30-9-3-6-23(20-30)26(31)28-18-21-4-2-8-25(17-21)33-15-12-29-10-13-32-14-11-29/h1-2,4-5,7-8,16-17,23H,3,6,9-15,18-20H2,(H,28,31)/t23-/m1/s1
InChIKeyVJGAKQWIJMTYQK-HSZRJFAPSA-N
MW455.57 g/mol
LogP3.07
Rot. Bonds9

About (3R)-1-[(3-fluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-3-carboxamide

(3R)-1-[(3-fluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 52819283) has the molecular formula C26H34FN3O3 and a molecular weight of 455.57 g/mol. Its IUPAC name is (3R)-1-[(3-fluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(3-fluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-3-carboxamide
PubChem CID52819283
Molecular FormulaC26H34FN3O3
Molecular Weight455.57 g/mol
Exact Mass455.26
IUPAC Name(3R)-1-[(3-fluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(OCCN2CCOCC2)c1)[C@@H]1CCCN(Cc2cccc(F)c2)C1
InChIInChI=1S/C26H34FN3O3/c27-24-7-1-5-22(16-24)19-30-9-3-6-23(20-30)26(31)28-18-21-4-2-8-25(17-21)33-15-12-29-10-13-32-14-11-29/h1-2,4-5,7-8,16-17,23H,3,6,9-15,18-20H2,(H,28,31)/t23-/m1/s1
InChIKeyVJGAKQWIJMTYQK-HSZRJFAPSA-N
XLogP3.07
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.57
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[(3-fluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

3-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119865297
2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22680140
N-[3-(azepan-1-yl)propyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 56545217
(3R)-1-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94819145
1-benzyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917296
(3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 95138806
1-[(3-fluorophenyl)methyl]-N-(2-piperazin-1-ylethyl)piperidine-3-carboxamide
CID 119448544
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55969887
1-[2-(3-fluorophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide
CID 46444102
4-[2-[3-[[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]phenoxy]ethyl]morpholine
CID 99926332
1-(1-cyclohexylpiperidin-3-yl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 86904644

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-fluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(3-fluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-3-carboxamide (CID 52819283) is (3R)-1-[(3-fluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(3-fluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(3-fluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-3-carboxamide is O=C(NCc1cccc(OCCN2CCOCC2)c1)[C@@H]1CCCN(Cc2cccc(F)c2)C1.
What is the InChIKey of (3R)-1-[(3-fluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is VJGAKQWIJMTYQK-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H34FN3O3/c27-24-7-1-5-22(16-24)19-30-9-3-6-23(20-30)26(31)28-18-21-4-2-8-25(17-21)33-15-12-29-10-13-32-14-11-29/h1-2,4-5,7-8,16-17,23H,3,6,9-15,18-20H2,(H,28,31)/t23-/m1/s1.
What are the key properties of (3R)-1-[(3-fluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-3-carboxamide?
(3R)-1-[(3-fluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 455.57 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-fluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 52819283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).