[3-(morpholin-4-ylmethyl)piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone

C21H28N4O3 — CID 45174429

IUPAC[3-(morpholin-4-ylmethyl)piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(COc2ccccc2)[nH]n1)N1CCCC(CN2CCOCC2)C1
InChIInChI=1S/C21H28N4O3/c26-21(20-13-18(22-23-20)16-28-19-6-2-1-3-7-19)25-8-4-5-17(15-25)14-24-9-11-27-12-10-24/h1-3,6-7,13,17H,4-5,8-12,14-16H2,(H,22,23)
InChIKeyRZRJBEIDNULFBC-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.17
Rot. Bonds6

About [3-(morpholin-4-ylmethyl)piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone

[3-(morpholin-4-ylmethyl)piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone (PubChem CID 45174429) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is [3-(morpholin-4-ylmethyl)piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[3-(morpholin-4-ylmethyl)piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone
PubChem CID45174429
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name[3-(morpholin-4-ylmethyl)piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(COc2ccccc2)[nH]n1)N1CCCC(CN2CCOCC2)C1
InChIInChI=1S/C21H28N4O3/c26-21(20-13-18(22-23-20)16-28-19-6-2-1-3-7-19)25-8-4-5-17(15-25)14-24-9-11-27-12-10-24/h1-3,6-7,13,17H,4-5,8-12,14-16H2,(H,22,23)
InChIKeyRZRJBEIDNULFBC-UHFFFAOYSA-N
XLogP2.17
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(morpholin-4-ylmethyl)piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-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-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone
CID 25287398
[5-(1,3-benzodioxol-5-yloxymethyl)-1H-pyrazol-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 45238640
[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 25301894
[5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone
CID 56749784
1-[(3S)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 95840549
[5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-(3-methoxypiperidin-1-yl)methanone
CID 45191198
[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone
CID 95219998
[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56879058
[5-(difluoromethyl)-1-methylpyrazol-3-yl]-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 136586354
2-hydroxy-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone
CID 111464634
[(3S)-3-hydroxypyrrolidin-1-yl]-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazol-3-yl]methanone
CID 56856200
[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 119071651

Frequently Asked Questions

What is the IUPAC name of [3-(morpholin-4-ylmethyl)piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [3-(morpholin-4-ylmethyl)piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone (CID 45174429) is [3-(morpholin-4-ylmethyl)piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [3-(morpholin-4-ylmethyl)piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [3-(morpholin-4-ylmethyl)piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone is O=C(c1cc(COc2ccccc2)[nH]n1)N1CCCC(CN2CCOCC2)C1.
What is the InChIKey of [3-(morpholin-4-ylmethyl)piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone?
The InChIKey is RZRJBEIDNULFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c26-21(20-13-18(22-23-20)16-28-19-6-2-1-3-7-19)25-8-4-5-17(15-25)14-24-9-11-27-12-10-24/h1-3,6-7,13,17H,4-5,8-12,14-16H2,(H,22,23).
What are the key properties of [3-(morpholin-4-ylmethyl)piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone?
[3-(morpholin-4-ylmethyl)piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone has a molecular weight of 384.48 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(morpholin-4-ylmethyl)piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 45174429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).