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

C22H34N4O2 — CID 118190171

IUPAC[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone
SMILESCOC1CCN(c2ccc(C(=O)N3CCC(N4CCC[C@@H](C)C4)CC3)cn2)C1
InChIInChI=1S/C22H34N4O2/c1-17-4-3-10-25(15-17)19-7-11-24(12-8-19)22(27)18-5-6-21(23-14-18)26-13-9-20(16-26)28-2/h5-6,14,17,19-20H,3-4,7-13,15-16H2,1-2H3/t17-,20?/m1/s1
InChIKeyMCZMOQGSZZEWQU-DIAVIDTQSA-N
MW386.54 g/mol
LogP2.64
Rot. Bonds4

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

[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone (PubChem CID 118190171) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is [6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone
PubChem CID118190171
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone
SMILESCOC1CCN(c2ccc(C(=O)N3CCC(N4CCC[C@@H](C)C4)CC3)cn2)C1
InChIInChI=1S/C22H34N4O2/c1-17-4-3-10-25(15-17)19-7-11-24(12-8-19)22(27)18-5-6-21(23-14-18)26-13-9-20(16-26)28-2/h5-6,14,17,19-20H,3-4,7-13,15-16H2,1-2H3/t17-,20?/m1/s1
InChIKeyMCZMOQGSZZEWQU-DIAVIDTQSA-N
XLogP2.64
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of [6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone (CID 118190171) is [6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for [6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone is COC1CCN(c2ccc(C(=O)N3CCC(N4CCC[C@@H](C)C4)CC3)cn2)C1.
What is the InChIKey of [6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone?
The InChIKey is MCZMOQGSZZEWQU-DIAVIDTQSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-17-4-3-10-25(15-17)19-7-11-24(12-8-19)22(27)18-5-6-21(23-14-18)26-13-9-20(16-26)28-2/h5-6,14,17,19-20H,3-4,7-13,15-16H2,1-2H3/t17-,20?/m1/s1.
What are the key properties of [6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone?
[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 386.54 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 118190171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).