[4-[2-[4-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]-pyridin-3-ylmethanone

C25H31N3O4 — CID 42123110

IUPAC[4-[2-[4-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCOCC1CCN(C(=O)c2ccccc2OC2CCN(C(=O)c3cccnc3)CC2)CC1
InChIInChI=1S/C25H31N3O4/c1-31-18-19-8-13-28(14-9-19)25(30)22-6-2-3-7-23(22)32-21-10-15-27(16-11-21)24(29)20-5-4-12-26-17-20/h2-7,12,17,19,21H,8-11,13-16,18H2,1H3
InChIKeyTVCPGNCEZORTER-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.26
Rot. Bonds6

About [4-[2-[4-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]-pyridin-3-ylmethanone

[4-[2-[4-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 42123110) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is [4-[2-[4-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[2-[4-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID42123110
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name[4-[2-[4-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCOCC1CCN(C(=O)c2ccccc2OC2CCN(C(=O)c3cccnc3)CC2)CC1
InChIInChI=1S/C25H31N3O4/c1-31-18-19-8-13-28(14-9-19)25(30)22-6-2-3-7-23(22)32-21-10-15-27(16-11-21)24(29)20-5-4-12-26-17-20/h2-7,12,17,19,21H,8-11,13-16,18H2,1H3
InChIKeyTVCPGNCEZORTER-UHFFFAOYSA-N
XLogP3.26
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[2-[4-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]-pyridin-3-ylmethanone 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

[4-(methoxymethyl)piperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
CID 42240600
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 56796144
2-ethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521364
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110411687
[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
[4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 84513638
3-methoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924717
(2-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977657
(2-iodophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63980357
N'-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 71786317
1-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide
CID 90521463

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[2-[4-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]-pyridin-3-ylmethanone (CID 42123110) is [4-[2-[4-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[2-[4-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[2-[4-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]-pyridin-3-ylmethanone is COCC1CCN(C(=O)c2ccccc2OC2CCN(C(=O)c3cccnc3)CC2)CC1.
What is the InChIKey of [4-[2-[4-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is TVCPGNCEZORTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-31-18-19-8-13-28(14-9-19)25(30)22-6-2-3-7-23(22)32-21-10-15-27(16-11-21)24(29)20-5-4-12-26-17-20/h2-7,12,17,19,21H,8-11,13-16,18H2,1H3.
What are the key properties of [4-[2-[4-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]-pyridin-3-ylmethanone?
[4-[2-[4-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 437.54 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 42123110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).