[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(2-phenylphenyl)methanone

C25H27N3O — CID 125027034

IUPAC[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(2-phenylphenyl)methanone
SMILESCN(C)c1cc([C@@H]2CCCN(C(=O)c3ccccc3-c3ccccc3)C2)ccn1
InChIInChI=1S/C25H27N3O/c1-27(2)24-17-20(14-15-26-24)21-11-8-16-28(18-21)25(29)23-13-7-6-12-22(23)19-9-4-3-5-10-19/h3-7,9-10,12-15,17,21H,8,11,16,18H2,1-2H3/t21-/m1/s1
InChIKeyZXZKORMMPSFTAE-OAQYLSRUSA-N
MW385.51 g/mol
LogP4.83
Rot. Bonds4

About [(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(2-phenylphenyl)methanone

[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(2-phenylphenyl)methanone (PubChem CID 125027034) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is [(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(2-phenylphenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(2-phenylphenyl)methanone
PubChem CID125027034
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(2-phenylphenyl)methanone
SMILESCN(C)c1cc([C@@H]2CCCN(C(=O)c3ccccc3-c3ccccc3)C2)ccn1
InChIInChI=1S/C25H27N3O/c1-27(2)24-17-20(14-15-26-24)21-11-8-16-28(18-21)25(29)23-13-7-6-12-22(23)19-9-4-3-5-10-19/h3-7,9-10,12-15,17,21H,8,11,16,18H2,1-2H3/t21-/m1/s1
InChIKeyZXZKORMMPSFTAE-OAQYLSRUSA-N
XLogP4.83
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 129352513
[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 124978147
3-[3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 110105858
5-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 124972441
3-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 125023343
2-cyclopropyl-1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]ethanone
CID 125005497
[3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 127246886
(3-methylpiperidin-1-yl)-(2-phenylphenyl)methanone
CID 145074251
1,3-benzodioxol-5-yl-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 124955424
[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-(4-methylphenyl)piperidin-1-yl]methanone
CID 125474294
[3-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone
CID 152513618
[(3R)-3-(2-chlorophenyl)piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone
CID 125474114

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(2-phenylphenyl)methanone?
The IUPAC name of [(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(2-phenylphenyl)methanone (CID 125027034) is [(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(2-phenylphenyl)methanone.
What is the SMILES notation for [(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(2-phenylphenyl)methanone?
The canonical SMILES for [(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(2-phenylphenyl)methanone is CN(C)c1cc([C@@H]2CCCN(C(=O)c3ccccc3-c3ccccc3)C2)ccn1.
What is the InChIKey of [(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(2-phenylphenyl)methanone?
The InChIKey is ZXZKORMMPSFTAE-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H27N3O/c1-27(2)24-17-20(14-15-26-24)21-11-8-16-28(18-21)25(29)23-13-7-6-12-22(23)19-9-4-3-5-10-19/h3-7,9-10,12-15,17,21H,8,11,16,18H2,1-2H3/t21-/m1/s1.
What are the key properties of [(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(2-phenylphenyl)methanone?
[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(2-phenylphenyl)methanone has a molecular weight of 385.51 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(2-phenylphenyl)methanone is sourced from PubChem (CID 125027034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).