(4-phenylpiperidin-1-yl)-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone

C29H33N3O — CID 134800699

IUPAC(4-phenylpiperidin-1-yl)-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(Cc2ccccc2-c2cccnc2)CC1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C29H33N3O/c33-29(32-19-14-24(15-20-32)23-7-2-1-3-8-23)25-12-17-31(18-13-25)22-27-9-4-5-11-28(27)26-10-6-16-30-21-26/h1-11,16,21,24-25H,12-15,17-20,22H2
InChIKeyOWBQZPUUYPCBRD-UHFFFAOYSA-N
MW439.60 g/mol
LogP5.37
Rot. Bonds5

About (4-phenylpiperidin-1-yl)-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone

(4-phenylpiperidin-1-yl)-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone (PubChem CID 134800699) has the molecular formula C29H33N3O and a molecular weight of 439.60 g/mol. Its IUPAC name is (4-phenylpiperidin-1-yl)-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-phenylpiperidin-1-yl)-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone
PubChem CID134800699
Molecular FormulaC29H33N3O
Molecular Weight439.60 g/mol
Exact Mass439.26
IUPAC Name(4-phenylpiperidin-1-yl)-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(Cc2ccccc2-c2cccnc2)CC1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C29H33N3O/c33-29(32-19-14-24(15-20-32)23-7-2-1-3-8-23)25-12-17-31(18-13-25)22-27-9-4-5-11-28(27)26-10-6-16-30-21-26/h1-11,16,21,24-25H,12-15,17-20,22H2
InChIKeyOWBQZPUUYPCBRD-UHFFFAOYSA-N
XLogP5.37
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-phenylpiperidin-1-yl)-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone with MolForge

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Related Compounds

piperidin-1-yl-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone
CID 134801404
N-propan-2-yl-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 134803038
N-[(2-fluorophenyl)methyl]-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 134802499
N-phenyl-4-[(2-pyridin-3-ylphenyl)methyl]piperazine-1-carboxamide
CID 134802336
(2-phenylphenyl)-(4-pyridin-3-ylpiperidin-1-yl)methanone
CID 126469063
1-(cyclopropanecarbonyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805550
(1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 91806523
azepan-1-yl-[1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone
CID 134011136
(4-methylpiperidin-1-yl)-[1-(pyridin-3-ylmethyl)piperidin-4-yl]methanone;oxalic acid
CID 126468803
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone;oxalic acid
CID 44828315
(6-chloro-3-pyridinyl)-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone
CID 134799669

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperidin-1-yl)-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone?
The IUPAC name of (4-phenylpiperidin-1-yl)-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone (CID 134800699) is (4-phenylpiperidin-1-yl)-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-phenylpiperidin-1-yl)-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-phenylpiperidin-1-yl)-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone is O=C(C1CCN(Cc2ccccc2-c2cccnc2)CC1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperidin-1-yl)-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone?
The InChIKey is OWBQZPUUYPCBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O/c33-29(32-19-14-24(15-20-32)23-7-2-1-3-8-23)25-12-17-31(18-13-25)22-27-9-4-5-11-28(27)26-10-6-16-30-21-26/h1-11,16,21,24-25H,12-15,17-20,22H2.
What are the key properties of (4-phenylpiperidin-1-yl)-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone?
(4-phenylpiperidin-1-yl)-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone has a molecular weight of 439.60 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperidin-1-yl)-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 134800699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).