[1-(methoxymethyl)cyclobutyl]-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone

C21H34N4O3 — CID 155510223

IUPAC[1-(methoxymethyl)cyclobutyl]-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
SMILESCOCC1(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)CCC1
InChIInChI=1S/C21H34N4O3/c1-23-14-17(13-22-23)19-18(15-24-9-4-3-5-10-24)28-12-11-25(19)20(26)21(16-27-2)7-6-8-21/h13-14,18-19H,3-12,15-16H2,1-2H3/t18-,19-/m0/s1
InChIKeyANZIYIXYWKFXMP-OALUTQOASA-N
MW390.53 g/mol
LogP1.99
Rot. Bonds6

About [1-(methoxymethyl)cyclobutyl]-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone

[1-(methoxymethyl)cyclobutyl]-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone (PubChem CID 155510223) has the molecular formula C21H34N4O3 and a molecular weight of 390.53 g/mol. Its IUPAC name is [1-(methoxymethyl)cyclobutyl]-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(methoxymethyl)cyclobutyl]-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
PubChem CID155510223
Molecular FormulaC21H34N4O3
Molecular Weight390.53 g/mol
Exact Mass390.26
IUPAC Name[1-(methoxymethyl)cyclobutyl]-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
SMILESCOCC1(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)CCC1
InChIInChI=1S/C21H34N4O3/c1-23-14-17(13-22-23)19-18(15-24-9-4-3-5-10-24)28-12-11-25(19)20(26)21(16-27-2)7-6-8-21/h13-14,18-19H,3-12,15-16H2,1-2H3/t18-,19-/m0/s1
InChIKeyANZIYIXYWKFXMP-OALUTQOASA-N
XLogP1.99
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-(methoxymethyl)cyclobutyl]-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-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

Related Compounds

formic acid;[3-(hydroxymethyl)azetidin-3-yl]-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155938270
(3-methyloxetan-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155505259
(1-methylpiperidin-4-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155506386
4-amino-1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]butan-1-one
CID 155507556
1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one
CID 155502215
1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-phenylethanone
CID 155495620
(2-ethylpyrazol-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155503181
2-(3-methylphenoxy)-1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]ethanone
CID 155508862
2-methyl-N-[2-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]propanamide
CID 155505081
1,1-dimethyl-3-[2-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]urea
CID 155505891
(2-methoxy-3-pyridinyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155913679
[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-(6-methyl-3-pyridinyl)methanone
CID 155503586

Frequently Asked Questions

What is the IUPAC name of [1-(methoxymethyl)cyclobutyl]-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone?
The IUPAC name of [1-(methoxymethyl)cyclobutyl]-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone (CID 155510223) is [1-(methoxymethyl)cyclobutyl]-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [1-(methoxymethyl)cyclobutyl]-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone?
The canonical SMILES for [1-(methoxymethyl)cyclobutyl]-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone is COCC1(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)CCC1.
What is the InChIKey of [1-(methoxymethyl)cyclobutyl]-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone?
The InChIKey is ANZIYIXYWKFXMP-OALUTQOASA-N. The full InChI is InChI=1S/C21H34N4O3/c1-23-14-17(13-22-23)19-18(15-24-9-4-3-5-10-24)28-12-11-25(19)20(26)21(16-27-2)7-6-8-21/h13-14,18-19H,3-12,15-16H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of [1-(methoxymethyl)cyclobutyl]-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone?
[1-(methoxymethyl)cyclobutyl]-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone has a molecular weight of 390.53 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methoxymethyl)cyclobutyl]-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 155510223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).