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

C23H32N4O3 — CID 123659250

IUPAC[1-(2-hydroxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]methanone
SMILESCOCC1(CNC2CC2c2ccccc2)CCN(C(=O)c2cnn(CCO)c2)CC1
InChIInChI=1S/C23H32N4O3/c1-30-17-23(16-24-21-13-20(21)18-5-3-2-4-6-18)7-9-26(10-8-23)22(29)19-14-25-27(15-19)11-12-28/h2-6,14-15,20-21,24,28H,7-13,16-17H2,1H3
InChIKeyQMACINFHUYISJD-UHFFFAOYSA-N
MW412.53 g/mol
LogP1.89
Rot. Bonds9

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

[1-(2-hydroxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]methanone (PubChem CID 123659250) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is [1-(2-hydroxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-hydroxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]methanone
PubChem CID123659250
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name[1-(2-hydroxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]methanone
SMILESCOCC1(CNC2CC2c2ccccc2)CCN(C(=O)c2cnn(CCO)c2)CC1
InChIInChI=1S/C23H32N4O3/c1-30-17-23(16-24-21-13-20(21)18-5-3-2-4-6-18)7-9-26(10-8-23)22(29)19-14-25-27(15-19)11-12-28/h2-6,14-15,20-21,24,28H,7-13,16-17H2,1H3
InChIKeyQMACINFHUYISJD-UHFFFAOYSA-N
XLogP1.89
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-(2-hydroxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-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-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 118290857
(6-aminopyridazin-3-yl)-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
CID 118302832
tert-butyl 4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 118319880
(4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]methanone
CID 123698897
3-[3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carbonyl]pyrazol-1-yl]propanenitrile
CID 118302854
6-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 118301996
[(3R)-3-hydroxypiperidin-1-yl]-[4-(methoxymethyl)-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
CID 118290787
trans-(1R,2S)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine
CID 118290144
[4-(methoxymethyl)-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 149261967
tert-butyl 4-(cyanomethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate
CID 118290169
3-[4-[(2-cyanophenoxy)methyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid
CID 118302952
tert-butyl 4-[(4-fluorophenyl)methyl]-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 118290135

Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]methanone?
The IUPAC name of [1-(2-hydroxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]methanone (CID 123659250) is [1-(2-hydroxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-hydroxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for [1-(2-hydroxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]methanone is COCC1(CNC2CC2c2ccccc2)CCN(C(=O)c2cnn(CCO)c2)CC1.
What is the InChIKey of [1-(2-hydroxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]methanone?
The InChIKey is QMACINFHUYISJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-30-17-23(16-24-21-13-20(21)18-5-3-2-4-6-18)7-9-26(10-8-23)22(29)19-14-25-27(15-19)11-12-28/h2-6,14-15,20-21,24,28H,7-13,16-17H2,1H3.
What are the key properties of [1-(2-hydroxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]methanone?
[1-(2-hydroxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]methanone has a molecular weight of 412.53 g/mol, XLogP of 1.89, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 123659250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).