2-[(3R,5R)-4-(3-fluoro-2-methylphenyl)-3,5-bis(pyridine-2-carbonyl)piperidin-1-yl]-N-methylacetamide

C27H27FN4O3 — CID 68879855

IUPAC2-[(3R,5R)-4-(3-fluoro-2-methylphenyl)-3,5-bis(pyridine-2-carbonyl)piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1C[C@H](C(=O)c2ccccn2)C(c2cccc(F)c2C)[C@@H](C(=O)c2ccccn2)C1
InChIInChI=1S/C27H27FN4O3/c1-17-18(8-7-9-21(17)28)25-19(26(34)22-10-3-5-12-30-22)14-32(16-24(33)29-2)15-20(25)27(35)23-11-4-6-13-31-23/h3-13,19-20,25H,14-16H2,1-2H3,(H,29,33)/t19-,20-/m0/s1
InChIKeyUFRPDFBOKQDFSO-PMACEKPBSA-N
MW474.54 g/mol
LogP3.07
Rot. Bonds7

About 2-[(3R,5R)-4-(3-fluoro-2-methylphenyl)-3,5-bis(pyridine-2-carbonyl)piperidin-1-yl]-N-methylacetamide

2-[(3R,5R)-4-(3-fluoro-2-methylphenyl)-3,5-bis(pyridine-2-carbonyl)piperidin-1-yl]-N-methylacetamide (PubChem CID 68879855) has the molecular formula C27H27FN4O3 and a molecular weight of 474.54 g/mol. Its IUPAC name is 2-[(3R,5R)-4-(3-fluoro-2-methylphenyl)-3,5-bis(pyridine-2-carbonyl)piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3R,5R)-4-(3-fluoro-2-methylphenyl)-3,5-bis(pyridine-2-carbonyl)piperidin-1-yl]-N-methylacetamide
PubChem CID68879855
Molecular FormulaC27H27FN4O3
Molecular Weight474.54 g/mol
Exact Mass474.21
IUPAC Name2-[(3R,5R)-4-(3-fluoro-2-methylphenyl)-3,5-bis(pyridine-2-carbonyl)piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1C[C@H](C(=O)c2ccccn2)C(c2cccc(F)c2C)[C@@H](C(=O)c2ccccn2)C1
InChIInChI=1S/C27H27FN4O3/c1-17-18(8-7-9-21(17)28)25-19(26(34)22-10-3-5-12-30-22)14-32(16-24(33)29-2)15-20(25)27(35)23-11-4-6-13-31-23/h3-13,19-20,25H,14-16H2,1-2H3,(H,29,33)/t19-,20-/m0/s1
InChIKeyUFRPDFBOKQDFSO-PMACEKPBSA-N
XLogP3.07
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3R,5R)-4-(3-fluoro-2-methylphenyl)-3,5-bis(pyridine-2-carbonyl)piperidin-1-yl]-N-methylacetamide with MolForge

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Related Compounds

[(3R,5R)-4-(3-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)-5-(6-methoxypyridine-2-carbonyl)piperidin-3-yl]-(6-methoxy-2-pyridinyl)methanone
CID 69186093
[(3R,5R)-1-benzyl-4-(3-fluoro-2-methylphenyl)-5-(3-hydroxybenzoyl)piperidin-3-yl]-(3-hydroxyphenyl)methanone
CID 68882352
[(3R,5S)-4-(3-fluoro-2-methylphenyl)-5-(3-hydroxybenzoyl)-1-[(2R)-2-hydroxypropyl]piperidin-3-yl]-(3-hydroxyphenyl)methanone
CID 16725783
2-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]-N-methylacetamide
CID 103299364
2-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide
CID 110456763
bis[1-[4-(dimethylamino)butyl]-4-(3-fluoro-2-methylphenyl)-5-(3-hydroxybenzoyl)piperidin-3-yl]methanone
CID 69173460
2-[3,5-dibenzoyl-4-(3-chloro-2-methylphenyl)piperidin-1-yl]-N,N-dimethylacetamide
CID 16725650
2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-methylacetamide
CID 8774574
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyridine-2-carboxamide
CID 47380307
ethyl (3R,4S,5R)-4-(3-fluoro-2-methylphenyl)-5-(3-hydroxybenzoyl)-1-(2-methoxyethyl)piperidine-3-carboxylate
CID 90809282
[(3R,5R)-4-(3-fluoro-2-methylphenyl)-3,5-bis(3-hydroxybenzoyl)piperidin-1-yl]carbamoyl-dimethyl-propylazanium
CID 91292697
6-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyridine-2-carboxamide
CID 115497212

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,5R)-4-(3-fluoro-2-methylphenyl)-3,5-bis(pyridine-2-carbonyl)piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[(3R,5R)-4-(3-fluoro-2-methylphenyl)-3,5-bis(pyridine-2-carbonyl)piperidin-1-yl]-N-methylacetamide (CID 68879855) is 2-[(3R,5R)-4-(3-fluoro-2-methylphenyl)-3,5-bis(pyridine-2-carbonyl)piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(3R,5R)-4-(3-fluoro-2-methylphenyl)-3,5-bis(pyridine-2-carbonyl)piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[(3R,5R)-4-(3-fluoro-2-methylphenyl)-3,5-bis(pyridine-2-carbonyl)piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1C[C@H](C(=O)c2ccccn2)C(c2cccc(F)c2C)[C@@H](C(=O)c2ccccn2)C1.
What is the InChIKey of 2-[(3R,5R)-4-(3-fluoro-2-methylphenyl)-3,5-bis(pyridine-2-carbonyl)piperidin-1-yl]-N-methylacetamide?
The InChIKey is UFRPDFBOKQDFSO-PMACEKPBSA-N. The full InChI is InChI=1S/C27H27FN4O3/c1-17-18(8-7-9-21(17)28)25-19(26(34)22-10-3-5-12-30-22)14-32(16-24(33)29-2)15-20(25)27(35)23-11-4-6-13-31-23/h3-13,19-20,25H,14-16H2,1-2H3,(H,29,33)/t19-,20-/m0/s1.
What are the key properties of 2-[(3R,5R)-4-(3-fluoro-2-methylphenyl)-3,5-bis(pyridine-2-carbonyl)piperidin-1-yl]-N-methylacetamide?
2-[(3R,5R)-4-(3-fluoro-2-methylphenyl)-3,5-bis(pyridine-2-carbonyl)piperidin-1-yl]-N-methylacetamide has a molecular weight of 474.54 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,5R)-4-(3-fluoro-2-methylphenyl)-3,5-bis(pyridine-2-carbonyl)piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 68879855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).