(2-phenoxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone

C28H32N4O2 — CID 52808285

IUPAC(2-phenoxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Oc1ccccc1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C28H32N4O2/c33-28(25-12-4-5-13-26(25)34-24-10-2-1-3-11-24)32-16-8-9-23(22-32)21-30-17-19-31(20-18-30)27-14-6-7-15-29-27/h1-7,10-15,23H,8-9,16-22H2/t23-/m1/s1
InChIKeyMERMYXTWYWXXFK-HSZRJFAPSA-N
MW456.59 g/mol
LogP4.55
Rot. Bonds6

About (2-phenoxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone

(2-phenoxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 52808285) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is (2-phenoxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-phenoxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID52808285
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Name(2-phenoxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Oc1ccccc1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C28H32N4O2/c33-28(25-12-4-5-13-26(25)34-24-10-2-1-3-11-24)32-16-8-9-23(22-32)21-30-17-19-31(20-18-30)27-14-6-7-15-29-27/h1-7,10-15,23H,8-9,16-22H2/t23-/m1/s1
InChIKeyMERMYXTWYWXXFK-HSZRJFAPSA-N
XLogP4.55
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-phenoxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 110878410
(5-benzyl-2-hydroxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 95350597
cyclohexyl-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 52507166
3-amino-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 119902888
(6-fluoro-2-pyridinyl)-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 97241812
3-methyl-1-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]but-2-en-1-one
CID 95299376
oxetan-3-yl 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate
CID 167859480
1-(2-phenoxybenzoyl)piperidine-3-carboxylic acid
CID 45429227
(2R)-2-methyl-1-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 94799591
methyl 2-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetate
CID 124721465
[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone
CID 124701848
N-[[1-(2-phenoxybenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 47029623

Frequently Asked Questions

What is the IUPAC name of (2-phenoxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (2-phenoxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone (CID 52808285) is (2-phenoxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-phenoxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-phenoxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone is O=C(c1ccccc1Oc1ccccc1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of (2-phenoxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is MERMYXTWYWXXFK-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H32N4O2/c33-28(25-12-4-5-13-26(25)34-24-10-2-1-3-11-24)32-16-8-9-23(22-32)21-30-17-19-31(20-18-30)27-14-6-7-15-29-27/h1-7,10-15,23H,8-9,16-22H2/t23-/m1/s1.
What are the key properties of (2-phenoxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?
(2-phenoxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 456.59 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenoxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 52808285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).