[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone

C22H33N3O3 — CID 118302908

IUPAC[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCOCC1(CN[C@@H]2CC2c2ccccc2)CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C22H33N3O3/c1-27-17-22(16-23-20-15-19(20)18-5-3-2-4-6-18)7-9-24(10-8-22)21(26)25-11-13-28-14-12-25/h2-6,19-20,23H,7-17H2,1H3/t19?,20-/m1/s1
InChIKeyJTLJJYAHFFNUDU-GFOWMXPYSA-N
MW387.52 g/mol
LogP2.31
Rot. Bonds6

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

[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 118302908) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID118302908
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCOCC1(CN[C@@H]2CC2c2ccccc2)CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C22H33N3O3/c1-27-17-22(16-23-20-15-19(20)18-5-3-2-4-6-18)7-9-24(10-8-22)21(26)25-11-13-28-14-12-25/h2-6,19-20,23H,7-17H2,1H3/t19?,20-/m1/s1
InChIKeyJTLJJYAHFFNUDU-GFOWMXPYSA-N
XLogP2.31
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone 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
Methyl [5-(4-ethylphenyl)-1-(morpholin-4-ylcarbonyl)piperidin-3-yl]carbamate
CID 68075447
(1-Methylpiperidin-4-yl)methyl 4-fluoro-4-(((trans-2-phenylcyclo-propyl)amino)methyl)piperidine-1-carboxylate
CID 130453447
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
N-(4-phenylbutan-2-yl)morpholine-4-carboxamide
CID 2915222
US9670210, Example 15 N-({1-[(3-Methoxypiperidin-1-yl)carbonyl]azetidin-3-yl}methyl)-trans-2-phenylcyclopropanamine
CID 118290900
US9994546, Example 86
CID 118297858
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]-morpholin-4-ylmethanone?
The IUPAC name of [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone (CID 118302908) is [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone is COCC1(CN[C@@H]2CC2c2ccccc2)CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is JTLJJYAHFFNUDU-GFOWMXPYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-27-17-22(16-23-20-15-19(20)18-5-3-2-4-6-18)7-9-24(10-8-22)21(26)25-11-13-28-14-12-25/h2-6,19-20,23H,7-17H2,1H3/t19?,20-/m1/s1.
What are the key properties of [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone?
[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 387.52 g/mol, XLogP of 2.31, 6 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]-morpholin-4-ylmethanone is sourced from PubChem (CID 118302908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).