[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone

C24H31N3O2 — CID 126776714

IUPAC[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone
SMILESCC1CCN(c2ccc(C(=O)N3CCC(COCc4ccccc4)C3)cn2)CC1
InChIInChI=1S/C24H31N3O2/c1-19-9-12-26(13-10-19)23-8-7-22(15-25-23)24(28)27-14-11-21(16-27)18-29-17-20-5-3-2-4-6-20/h2-8,15,19,21H,9-14,16-18H2,1H3
InChIKeyFJSKWAYZIAYSQY-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.00
Rot. Bonds6

About [6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone

[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 126776714) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is [6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID126776714
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone
SMILESCC1CCN(c2ccc(C(=O)N3CCC(COCc4ccccc4)C3)cn2)CC1
InChIInChI=1S/C24H31N3O2/c1-19-9-12-26(13-10-19)23-8-7-22(15-25-23)24(28)27-14-11-21(16-27)18-29-17-20-5-3-2-4-6-20/h2-8,15,19,21H,9-14,16-18H2,1H3
InChIKeyFJSKWAYZIAYSQY-UHFFFAOYSA-N
XLogP4.00
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152629
[(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanone
CID 28957540
(4-aminopiperidin-1-yl)-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 119374279
cis-(1R,2S)-2-[(3S)-3-(phenylmethoxymethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125132640
(3-chloro-4-hydroxyphenyl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone
CID 122149684
[6-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133447932
(4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 109152306
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56750257
(3,4-dimethoxyphenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505153
3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
CID 130818239
methyl 2-[4-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]acetate
CID 133333967
5-[3-(phenylmethoxymethyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119186829

Frequently Asked Questions

What is the IUPAC name of [6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone (CID 126776714) is [6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone is CC1CCN(c2ccc(C(=O)N3CCC(COCc4ccccc4)C3)cn2)CC1.
What is the InChIKey of [6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is FJSKWAYZIAYSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-19-9-12-26(13-10-19)23-8-7-22(15-25-23)24(28)27-14-11-21(16-27)18-29-17-20-5-3-2-4-6-20/h2-8,15,19,21H,9-14,16-18H2,1H3.
What are the key properties of [6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone?
[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 393.53 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 126776714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).