[(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone

C26H32N2O3 — CID 95097695

IUPAC[(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone
SMILESCC1CCN(C(=O)c2ccc(OC[C@@H]3CCCN(C(=O)c4ccccc4)C3)cc2)CC1
InChIInChI=1S/C26H32N2O3/c1-20-13-16-27(17-14-20)25(29)23-9-11-24(12-10-23)31-19-21-6-5-15-28(18-21)26(30)22-7-3-2-4-8-22/h2-4,7-12,20-21H,5-6,13-19H2,1H3/t21-/m1/s1
InChIKeyAGDGKXHBZLVMBC-OAQYLSRUSA-N
MW420.55 g/mol
LogP4.49
Rot. Bonds5

About [(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone

[(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone (PubChem CID 95097695) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is [(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone
PubChem CID95097695
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Name[(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone
SMILESCC1CCN(C(=O)c2ccc(OC[C@@H]3CCCN(C(=O)c4ccccc4)C3)cc2)CC1
InChIInChI=1S/C26H32N2O3/c1-20-13-16-27(17-14-20)25(29)23-9-11-24(12-10-23)31-19-21-6-5-15-28(18-21)26(30)22-7-3-2-4-8-22/h2-4,7-12,20-21H,5-6,13-19H2,1H3/t21-/m1/s1
InChIKeyAGDGKXHBZLVMBC-OAQYLSRUSA-N
XLogP4.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 95097674
(4-methylpiperidin-1-yl)-[4-[[1-(thiophene-3-carbonyl)piperidin-3-yl]methoxy]phenyl]methanone
CID 53150128
[(3S)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95097684
[4-[[(3S)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097621
3-phenyl-1-[(3S)-3-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one
CID 95097651
[4-[[(3R)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
CID 95097466
(4-methylpiperidin-1-yl)-[4-[[(3R)-piperidin-3-yl]methoxy]phenyl]methanone
CID 95169844
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971294
(3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110638403
3-methyl-1-[3-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]butan-1-one
CID 53150067
[4-[[(3R)-1-(2,4-dimethylbenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097584
4-[(3S)-3-[[3-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidine-1-carbonyl]benzonitrile
CID 92900885

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone (CID 95097695) is [(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone is CC1CCN(C(=O)c2ccc(OC[C@@H]3CCCN(C(=O)c4ccccc4)C3)cc2)CC1.
What is the InChIKey of [(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone?
The InChIKey is AGDGKXHBZLVMBC-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-20-13-16-27(17-14-20)25(29)23-9-11-24(12-10-23)31-19-21-6-5-15-28(18-21)26(30)22-7-3-2-4-8-22/h2-4,7-12,20-21H,5-6,13-19H2,1H3/t21-/m1/s1.
What are the key properties of [(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone?
[(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone has a molecular weight of 420.55 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 95097695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).