[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-(4-methoxypiperidin-1-yl)methanone

C24H37N3O3 — CID 118302789

IUPAC[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-(4-methoxypiperidin-1-yl)methanone
SMILESCOCC1(CN[C@@H]2CC2c2ccccc2)CCN(C(=O)N2CCC(OC)CC2)CC1
InChIInChI=1S/C24H37N3O3/c1-29-18-24(17-25-22-16-21(22)19-6-4-3-5-7-19)10-14-27(15-11-24)23(28)26-12-8-20(30-2)9-13-26/h3-7,20-22,25H,8-18H2,1-2H3/t21?,22-/m1/s1
InChIKeyFWASKGAQDIPKIB-FOIFJWKZSA-N
MW415.58 g/mol
LogP3.09
Rot. Bonds7

About [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-(4-methoxypiperidin-1-yl)methanone

[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-(4-methoxypiperidin-1-yl)methanone (PubChem CID 118302789) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-(4-methoxypiperidin-1-yl)methanone
PubChem CID118302789
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC Name[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-(4-methoxypiperidin-1-yl)methanone
SMILESCOCC1(CN[C@@H]2CC2c2ccccc2)CCN(C(=O)N2CCC(OC)CC2)CC1
InChIInChI=1S/C24H37N3O3/c1-29-18-24(17-25-22-16-21(22)19-6-4-3-5-7-19)10-14-27(15-11-24)23(28)26-12-8-20(30-2)9-13-26/h3-7,20-22,25H,8-18H2,1-2H3/t21?,22-/m1/s1
InChIKeyFWASKGAQDIPKIB-FOIFJWKZSA-N
XLogP3.09
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-(4-methoxypiperidin-1-yl)methanone with MolForge

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Related Compounds

piperidin-4-ylmethyl 4-fluoranyl-4-[[[(1~{R},2~{S})-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 130453587
3-methyl-3-phenyl-N-((1S,2R)-2-phenylcyclopropyl)piperidine-1-carboxamide
CID 46882917
(1-Methylpiperidin-4-yl)methyl 4-fluoro-4-(((trans-2-phenylcyclo-propyl)amino)methyl)piperidine-1-carboxylate
CID 130453447
(1-(Cyclopropylmethyl)piperidin-4-yl)methyl 4-fluoro-4-(((trans-2-phenylcyclo-propyl)amino)methyl)piperidine-1-carboxylate
CID 130453453
Piperidin-4-yl 4-fluoro-4-(((trans-2-phenylcyclo-propyl)amino)methyl)piperidine-1-carboxylate
CID 130453454
Piperidin-4-ylmethyl 4-fluoro-4-((((1S,2R)-2-phenyl-cyclopropyl)amino)methyl) piperidine-1-carboxylate
CID 130453557
Piperidin-4-ylmethyl-4-fluoro-4-(((trans-2-phenylcyclopropyl)amino) methyl)piperidine-1-carboxylate
CID 130453590
US9670210, Example 15 N-({1-[(3-Methoxypiperidin-1-yl)carbonyl]azetidin-3-yl}methyl)-trans-2-phenylcyclopropanamine
CID 118290900
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 43 (1R,2S) inverted question markN-({4-(methoxymethyl)-1-[(4-methylpiperazin-1-yl)carbonyl]piperidin-4-yl}methyl)-2-phenylcyclopropanamine
CID 118302764

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-(4-methoxypiperidin-1-yl)methanone (CID 118302789) is [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-(4-methoxypiperidin-1-yl)methanone is COCC1(CN[C@@H]2CC2c2ccccc2)CCN(C(=O)N2CCC(OC)CC2)CC1.
What is the InChIKey of [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is FWASKGAQDIPKIB-FOIFJWKZSA-N. The full InChI is InChI=1S/C24H37N3O3/c1-29-18-24(17-25-22-16-21(22)19-6-4-3-5-7-19)10-14-27(15-11-24)23(28)26-12-8-20(30-2)9-13-26/h3-7,20-22,25H,8-18H2,1-2H3/t21?,22-/m1/s1.
What are the key properties of [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-(4-methoxypiperidin-1-yl)methanone?
[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-(4-methoxypiperidin-1-yl)methanone has a molecular weight of 415.58 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 118302789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).