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

C23H36N4O2 — CID 118290857

IUPAC[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOCC1(CNC2CC2c2ccccc2)CCN(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C23H36N4O2/c1-25-12-14-27(15-13-25)22(28)26-10-8-23(9-11-26,18-29-2)17-24-21-16-20(21)19-6-4-3-5-7-19/h3-7,20-21,24H,8-18H2,1-2H3
InChIKeyZGXUHOYYYNOPGD-UHFFFAOYSA-N
MW400.57 g/mol
LogP2.23
Rot. Bonds6

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

[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 118290857) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is [4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID118290857
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOCC1(CNC2CC2c2ccccc2)CCN(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C23H36N4O2/c1-25-12-14-27(15-13-25)22(28)26-10-8-23(9-11-26,18-29-2)17-24-21-16-20(21)19-6-4-3-5-7-19/h3-7,20-21,24H,8-18H2,1-2H3
InChIKeyZGXUHOYYYNOPGD-UHFFFAOYSA-N
XLogP2.23
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]-(4-methylpiperazin-1-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

Related Compounds

(4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]methanone
CID 123698897
[(3R)-3-hydroxypiperidin-1-yl]-[4-(methoxymethyl)-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
CID 118290787
tert-butyl 4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 118319880
(6-aminopyridazin-3-yl)-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
CID 118302832
[1-(2-hydroxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]methanone
CID 123659250
6-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 118301996
trans-(1R,2S)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine
CID 118290144
3-[3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carbonyl]pyrazol-1-yl]propanenitrile
CID 118302854
tert-butyl 4-(cyanomethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate
CID 118290169
(1-methylpiperidin-4-yl)methyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 137422455
tert-butyl 4-[(4-fluorophenyl)methyl]-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 118290135
4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylic acid
CID 137422500

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone (CID 118290857) is [4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone is COCC1(CNC2CC2c2ccccc2)CCN(C(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of [4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is ZGXUHOYYYNOPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-25-12-14-27(15-13-25)22(28)26-10-8-23(9-11-26,18-29-2)17-24-21-16-20(21)19-6-4-3-5-7-19/h3-7,20-21,24H,8-18H2,1-2H3.
What are the key properties of [4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 400.57 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 118290857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).