[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone

C29H32N2O2 — CID 110149301

IUPAC[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone
SMILESCc1cccc(-c2cccc(C3CCCN(C(=O)C4(c5ccccc5)CCOCC4)C3)n2)c1
InChIInChI=1S/C29H32N2O2/c1-22-8-5-9-23(20-22)26-13-6-14-27(30-26)24-10-7-17-31(21-24)28(32)29(15-18-33-19-16-29)25-11-3-2-4-12-25/h2-6,8-9,11-14,20,24H,7,10,15-19,21H2,1H3
InChIKeyUQVKKVRYZGOKMO-UHFFFAOYSA-N
MW440.59 g/mol
LogP5.51
Rot. Bonds4

About [3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone

[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone (PubChem CID 110149301) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is [3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone.

Molecular Properties

Compound Name[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone
PubChem CID110149301
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC Name[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone
SMILESCc1cccc(-c2cccc(C3CCCN(C(=O)C4(c5ccccc5)CCOCC4)C3)n2)c1
InChIInChI=1S/C29H32N2O2/c1-22-8-5-9-23(20-22)26-13-6-14-27(30-26)24-10-7-17-31(21-24)28(32)29(15-18-33-19-16-29)25-11-3-2-4-12-25/h2-6,8-9,11-14,20,24H,7,10,15-19,21H2,1H3
InChIKeyUQVKKVRYZGOKMO-UHFFFAOYSA-N
XLogP5.51
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808945
2-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95809060
[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone
CID 132767471
[(3R)-3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[4-(4-methylphenyl)oxan-4-yl]methanone
CID 129453578
(2-methyl-1,3-oxazol-4-yl)-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95810788
1-[(3S)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95809803
1-(4-phenyloxane-4-carbonyl)piperidine-3-carboxylic acid
CID 119128018
(2-methyl-1-benzofuran-5-yl)-[3-(6-phenyl-2-pyridinyl)piperidin-1-yl]methanone
CID 110089978
[4-(4-methoxyphenyl)oxan-4-yl]-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 129459227
(3-hydroxypiperidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone
CID 43416776
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 124943104
[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 110149950

Frequently Asked Questions

What is the IUPAC name of [3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone?
The IUPAC name of [3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone (CID 110149301) is [3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone.
What is the SMILES notation for [3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone?
The canonical SMILES for [3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone is Cc1cccc(-c2cccc(C3CCCN(C(=O)C4(c5ccccc5)CCOCC4)C3)n2)c1.
What is the InChIKey of [3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone?
The InChIKey is UQVKKVRYZGOKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O2/c1-22-8-5-9-23(20-22)26-13-6-14-27(30-26)24-10-7-17-31(21-24)28(32)29(15-18-33-19-16-29)25-11-3-2-4-12-25/h2-6,8-9,11-14,20,24H,7,10,15-19,21H2,1H3.
What are the key properties of [3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone?
[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone has a molecular weight of 440.59 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone is sourced from PubChem (CID 110149301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).