(4-methylpiperidin-1-yl)-[5-(4-phenoxyphenyl)-3-pyridinyl]methanone

C24H24N2O2 — CID 46032979

IUPAC(4-methylpiperidin-1-yl)-[5-(4-phenoxyphenyl)-3-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2cncc(-c3ccc(Oc4ccccc4)cc3)c2)CC1
InChIInChI=1S/C24H24N2O2/c1-18-11-13-26(14-12-18)24(27)21-15-20(16-25-17-21)19-7-9-23(10-8-19)28-22-5-3-2-4-6-22/h2-10,15-18H,11-14H2,1H3
InChIKeyYYCJACGLRLJMQQ-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.41
Rot. Bonds4

About (4-methylpiperidin-1-yl)-[5-(4-phenoxyphenyl)-3-pyridinyl]methanone

(4-methylpiperidin-1-yl)-[5-(4-phenoxyphenyl)-3-pyridinyl]methanone (PubChem CID 46032979) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[5-(4-phenoxyphenyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[5-(4-phenoxyphenyl)-3-pyridinyl]methanone
PubChem CID46032979
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name(4-methylpiperidin-1-yl)-[5-(4-phenoxyphenyl)-3-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2cncc(-c3ccc(Oc4ccccc4)cc3)c2)CC1
InChIInChI=1S/C24H24N2O2/c1-18-11-13-26(14-12-18)24(27)21-15-20(16-25-17-21)19-7-9-23(10-8-19)28-22-5-3-2-4-6-22/h2-10,15-18H,11-14H2,1H3
InChIKeyYYCJACGLRLJMQQ-UHFFFAOYSA-N
XLogP5.41
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(methylamino)piperidin-1-yl]-(5-phenyl-3-pyridinyl)methanone
CID 119561943
(4-methylpiperidin-1-yl)-[2-(4-phenoxyanilino)-4-pyridinyl]methanone
CID 109166454
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-phenyl-3-pyridinyl)methanone
CID 120818980
[4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-3-pyridinyl]methanone;dihydrochloride
CID 119622551
N,N-dimethyl-4-(5-phenylpyridine-3-carbonyl)piperazine-1-carboxamide
CID 71920561
(3S)-1-[5-(4-methoxyphenyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 120514160
[5-(4-methoxyphenyl)-3-pyridinyl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124620498
3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-(4-methoxyphenyl)-3-pyridinyl]methanone;dihydrochloride
CID 119636013
N-(3-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103248
(4-methylpiperidin-1-yl)-(4-pyrimidin-2-yloxyphenyl)methanone
CID 70702933
(4-methoxy-4-methylpiperidin-1-yl)-[5-(4-methoxyphenyl)-3-pyridinyl]methanone
CID 146125670
N-[(2R)-butan-2-yl]-5-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 93232609

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[5-(4-phenoxyphenyl)-3-pyridinyl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[5-(4-phenoxyphenyl)-3-pyridinyl]methanone (CID 46032979) is (4-methylpiperidin-1-yl)-[5-(4-phenoxyphenyl)-3-pyridinyl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[5-(4-phenoxyphenyl)-3-pyridinyl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[5-(4-phenoxyphenyl)-3-pyridinyl]methanone is CC1CCN(C(=O)c2cncc(-c3ccc(Oc4ccccc4)cc3)c2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[5-(4-phenoxyphenyl)-3-pyridinyl]methanone?
The InChIKey is YYCJACGLRLJMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-18-11-13-26(14-12-18)24(27)21-15-20(16-25-17-21)19-7-9-23(10-8-19)28-22-5-3-2-4-6-22/h2-10,15-18H,11-14H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[5-(4-phenoxyphenyl)-3-pyridinyl]methanone?
(4-methylpiperidin-1-yl)-[5-(4-phenoxyphenyl)-3-pyridinyl]methanone has a molecular weight of 372.47 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[5-(4-phenoxyphenyl)-3-pyridinyl]methanone is sourced from PubChem (CID 46032979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).