[(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanone

C20H31N3O3 — CID 28957540

IUPAC[(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanone
SMILESCOCC1CCN(c2ccc(C(=O)N3CCC[C@@H](COC)C3)cn2)CC1
InChIInChI=1S/C20H31N3O3/c1-25-14-16-7-10-22(11-8-16)19-6-5-18(12-21-19)20(24)23-9-3-4-17(13-23)15-26-2/h5-6,12,16-17H,3-4,7-11,13-15H2,1-2H3/t17-/m1/s1
InChIKeyJPJMEEDHSUPILQ-QGZVFWFLSA-N
MW361.49 g/mol
LogP2.44
Rot. Bonds6

About [(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanone

[(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanone (PubChem CID 28957540) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is [(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanone
PubChem CID28957540
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name[(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanone
SMILESCOCC1CCN(c2ccc(C(=O)N3CCC[C@@H](COC)C3)cn2)CC1
InChIInChI=1S/C20H31N3O3/c1-25-14-16-7-10-22(11-8-16)19-6-5-18(12-21-19)20(24)23-9-3-4-17(13-23)15-26-2/h5-6,12,16-17H,3-4,7-11,13-15H2,1-2H3/t17-/m1/s1
InChIKeyJPJMEEDHSUPILQ-QGZVFWFLSA-N
XLogP2.44
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(methoxymethyl)piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 45232737
6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129371025
(3-aminopiperidin-1-yl)-[6-(azepan-1-yl)-3-pyridinyl]methanone
CID 119378158
(3-aminopiperidin-1-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride
CID 119378111
[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 90504931
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone
CID 95188150
[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 28956848
[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone
CID 126776714
(4-hydrazinylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106588870
[3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(2-methylprop-2-enyl)amino]-3-pyridinyl]methanone
CID 45231295
1-[6-(azepan-1-yl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 102554636
1-[(3S)-1-[6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95229059

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanone?
The IUPAC name of [(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanone (CID 28957540) is [(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanone.
What is the SMILES notation for [(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanone?
The canonical SMILES for [(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanone is COCC1CCN(c2ccc(C(=O)N3CCC[C@@H](COC)C3)cn2)CC1.
What is the InChIKey of [(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanone?
The InChIKey is JPJMEEDHSUPILQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-25-14-16-7-10-22(11-8-16)19-6-5-18(12-21-19)20(24)23-9-3-4-17(13-23)15-26-2/h5-6,12,16-17H,3-4,7-11,13-15H2,1-2H3/t17-/m1/s1.
What are the key properties of [(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanone?
[(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanone has a molecular weight of 361.49 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanone is sourced from PubChem (CID 28957540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).