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

C24H37N3O2 — CID 118302834

IUPAC[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
SMILESCOCC1(CN[C@@H]2CC2c2ccccc2)CCN(C(=O)C2CCN(C)CC2)CC1
InChIInChI=1S/C24H37N3O2/c1-26-12-8-20(9-13-26)23(28)27-14-10-24(11-15-27,18-29-2)17-25-22-16-21(22)19-6-4-3-5-7-19/h3-7,20-22,25H,8-18H2,1-2H3/t21?,22-/m1/s1
InChIKeyZUFSMGCSSVHSJM-FOIFJWKZSA-N
MW399.58 g/mol
LogP2.73
Rot. Bonds7

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

[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone (PubChem CID 118302834) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
PubChem CID118302834
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC Name[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
SMILESCOCC1(CN[C@@H]2CC2c2ccccc2)CCN(C(=O)C2CCN(C)CC2)CC1
InChIInChI=1S/C24H37N3O2/c1-26-12-8-20(9-13-26)23(28)27-14-10-24(11-15-27,18-29-2)17-25-22-16-21(22)19-6-4-3-5-7-19/h3-7,20-22,25H,8-18H2,1-2H3/t21?,22-/m1/s1
InChIKeyZUFSMGCSSVHSJM-FOIFJWKZSA-N
XLogP2.73
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
The IUPAC name of [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone (CID 118302834) is [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone.
What is the SMILES notation for [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
The canonical SMILES for [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone is COCC1(CN[C@@H]2CC2c2ccccc2)CCN(C(=O)C2CCN(C)CC2)CC1.
What is the InChIKey of [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
The InChIKey is ZUFSMGCSSVHSJM-FOIFJWKZSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-26-12-8-20(9-13-26)23(28)27-14-10-24(11-15-27,18-29-2)17-25-22-16-21(22)19-6-4-3-5-7-19/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]-(1-methylpiperidin-4-yl)methanone?
[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone has a molecular weight of 399.58 g/mol, XLogP of 2.73, 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]-(1-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 118302834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).