[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[(3R)-1-(2-pyridin-2-ylethyl)piperidin-3-yl]methanone

C26H35N3O2 — CID 92562113

IUPAC[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[(3R)-1-(2-pyridin-2-ylethyl)piperidin-3-yl]methanone
SMILESCc1ccccc1OC[C@@H]1CCCN(C(=O)[C@@H]2CCCN(CCc3ccccn3)C2)C1
InChIInChI=1S/C26H35N3O2/c1-21-8-2-3-12-25(21)31-20-22-9-6-16-29(18-22)26(30)23-10-7-15-28(19-23)17-13-24-11-4-5-14-27-24/h2-5,8,11-12,14,22-23H,6-7,9-10,13,15-20H2,1H3/t22-,23-/m1/s1
InChIKeyKVWQKKCKLKMUGY-DHIUTWEWSA-N
MW421.59 g/mol
LogP3.96
Rot. Bonds7

About [(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[(3R)-1-(2-pyridin-2-ylethyl)piperidin-3-yl]methanone

[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[(3R)-1-(2-pyridin-2-ylethyl)piperidin-3-yl]methanone (PubChem CID 92562113) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is [(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[(3R)-1-(2-pyridin-2-ylethyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[(3R)-1-(2-pyridin-2-ylethyl)piperidin-3-yl]methanone
PubChem CID92562113
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[(3R)-1-(2-pyridin-2-ylethyl)piperidin-3-yl]methanone
SMILESCc1ccccc1OC[C@@H]1CCCN(C(=O)[C@@H]2CCCN(CCc3ccccn3)C2)C1
InChIInChI=1S/C26H35N3O2/c1-21-8-2-3-12-25(21)31-20-22-9-6-16-29(18-22)26(30)23-10-7-15-28(19-23)17-13-24-11-4-5-14-27-24/h2-5,8,11-12,14,22-23H,6-7,9-10,13,15-20H2,1H3/t22-,23-/m1/s1
InChIKeyKVWQKKCKLKMUGY-DHIUTWEWSA-N
XLogP3.96
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[(3R)-1-(2-pyridin-2-ylethyl)piperidin-3-yl]methanone with MolForge

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Related Compounds

[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methanone
CID 46972140
[(3S)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methanone
CID 51586936
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 124809448
2-chloro-1-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]ethanone
CID 162679482
2,2-dimethyl-1-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-1-one
CID 110638458
azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 5116844
3-[(2-methylphenoxy)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46991912
formic acid;3-[(2-methylphenoxy)methyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine
CID 154908612
methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate
CID 60648150
oxan-4-yl-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 95845794
[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-(3-methyl-2-phenylimidazo[4,5-b]pyrazin-5-yl)methanone
CID 166104821
N-[[1-(2-pyridin-2-ylethyl)piperidin-3-yl]methyl]ethanamine
CID 63847232

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[(3R)-1-(2-pyridin-2-ylethyl)piperidin-3-yl]methanone?
The IUPAC name of [(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[(3R)-1-(2-pyridin-2-ylethyl)piperidin-3-yl]methanone (CID 92562113) is [(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[(3R)-1-(2-pyridin-2-ylethyl)piperidin-3-yl]methanone.
What is the SMILES notation for [(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[(3R)-1-(2-pyridin-2-ylethyl)piperidin-3-yl]methanone?
The canonical SMILES for [(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[(3R)-1-(2-pyridin-2-ylethyl)piperidin-3-yl]methanone is Cc1ccccc1OC[C@@H]1CCCN(C(=O)[C@@H]2CCCN(CCc3ccccn3)C2)C1.
What is the InChIKey of [(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[(3R)-1-(2-pyridin-2-ylethyl)piperidin-3-yl]methanone?
The InChIKey is KVWQKKCKLKMUGY-DHIUTWEWSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-21-8-2-3-12-25(21)31-20-22-9-6-16-29(18-22)26(30)23-10-7-15-28(19-23)17-13-24-11-4-5-14-27-24/h2-5,8,11-12,14,22-23H,6-7,9-10,13,15-20H2,1H3/t22-,23-/m1/s1.
What are the key properties of [(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[(3R)-1-(2-pyridin-2-ylethyl)piperidin-3-yl]methanone?
[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[(3R)-1-(2-pyridin-2-ylethyl)piperidin-3-yl]methanone has a molecular weight of 421.59 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[(3R)-1-(2-pyridin-2-ylethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 92562113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).