(3-methoxypiperidin-1-yl)-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]methanone

C20H29N3O2 — CID 118290900

IUPAC(3-methoxypiperidin-1-yl)-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]methanone
SMILESCOC1CCCN(C(=O)N2CC(CNC3CC3c3ccccc3)C2)C1
InChIInChI=1S/C20H29N3O2/c1-25-17-8-5-9-22(14-17)20(24)23-12-15(13-23)11-21-19-10-18(19)16-6-3-2-4-7-16/h2-4,6-7,15,17-19,21H,5,8-14H2,1H3
InChIKeyZWVPAXGAELUSCM-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.29
Rot. Bonds5

About (3-methoxypiperidin-1-yl)-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]methanone

(3-methoxypiperidin-1-yl)-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]methanone (PubChem CID 118290900) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (3-methoxypiperidin-1-yl)-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxypiperidin-1-yl)-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]methanone
PubChem CID118290900
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(3-methoxypiperidin-1-yl)-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]methanone
SMILESCOC1CCCN(C(=O)N2CC(CNC3CC3c3ccccc3)C2)C1
InChIInChI=1S/C20H29N3O2/c1-25-17-8-5-9-22(14-17)20(24)23-12-15(13-23)11-21-19-10-18(19)16-6-3-2-4-7-16/h2-4,6-7,15,17-19,21H,5,8-14H2,1H3
InChIKeyZWVPAXGAELUSCM-UHFFFAOYSA-N
XLogP2.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(trans-2-Phenylcyclopropyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49782571
US9670210, Example 13 Trans-2-phenyl-N-[(1-{[4-(trifluoromethyl)piperidin-1-yl]carbonyl}azetidin-3-yl)methyl]cyclopropanamine
CID 118290847
N-(4-phenylbutan-2-yl)morpholine-4-carboxamide
CID 2915222
1-(3-Morpholin-4-ylpropyl)-3-(2-phenylethyl)urea
CID 38155390
US9994546, Example 86
CID 118297858
US9994546, Example 88
CID 118297897
US9670210, Example 109 (3R)-1-{[4-(methoxymethyl)-4-({[(1R,2S)-2-phenylcyclopropyl]amino}methyl)piperidin-1-yl]carbonyl}piperidin-3-ol
CID 118302753
US9670210, Example 110 (3S)-1-{[4-(methoxymethyl)-4-({[(1R,2S)-2-phenylcyclopropyl]amino}methyl)piperidin-1-yl]carbonyl}piperidin-3-ol
CID 118302754
US9670210, Example 61 (3S)-1-{[4-(methoxymethyl)-4-({[(1R,2S)-2-phenylcyclopropyl]amino}methyl)piperidin-1-yl]carbonyl}pyrrolidin-3-ol
CID 118302782
US9670210, Example 113 (1R,2S) inverted question markN-({4-(methoxymethyl)-1-[(4-methoxypiperidin-1-yl)carbonyl]piperidin-4-yl}methyl)-2-phenylcyclopropanamine
CID 118302789
US9670210, Example 60 (3R)-1-{[4-(methoxymethyl)-4-({[(1R,2S)-2-phenylcyclopropyl]amino}methyl)piperidin-1-yl]carbonyl}pyrrolidin-3-ol
CID 118302831
US9670210, Example 112 1-{[4-(methoxymethyl)-4-({[(1R,2S)-2-phenylcyclopropyl]amino}methyl)piperidin-1-yl]carbonyl}piperidin-4-ol
CID 118302847

Frequently Asked Questions

What is the IUPAC name of (3-methoxypiperidin-1-yl)-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]methanone?
The IUPAC name of (3-methoxypiperidin-1-yl)-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]methanone (CID 118290900) is (3-methoxypiperidin-1-yl)-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]methanone.
What is the SMILES notation for (3-methoxypiperidin-1-yl)-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]methanone?
The canonical SMILES for (3-methoxypiperidin-1-yl)-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]methanone is COC1CCCN(C(=O)N2CC(CNC3CC3c3ccccc3)C2)C1.
What is the InChIKey of (3-methoxypiperidin-1-yl)-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]methanone?
The InChIKey is ZWVPAXGAELUSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-25-17-8-5-9-22(14-17)20(24)23-12-15(13-23)11-21-19-10-18(19)16-6-3-2-4-7-16/h2-4,6-7,15,17-19,21H,5,8-14H2,1H3.
What are the key properties of (3-methoxypiperidin-1-yl)-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]methanone?
(3-methoxypiperidin-1-yl)-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]methanone has a molecular weight of 343.47 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypiperidin-1-yl)-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]methanone is sourced from PubChem (CID 118290900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).