[1-[(1-tert-butylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone

C18H30N4O2 — CID 84592565

IUPAC[1-[(1-tert-butylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCC(C)(C)n1cc(CN2CCCC(C(=O)N3CCOCC3)C2)cn1
InChIInChI=1S/C18H30N4O2/c1-18(2,3)22-13-15(11-19-22)12-20-6-4-5-16(14-20)17(23)21-7-9-24-10-8-21/h11,13,16H,4-10,12,14H2,1-3H3
InChIKeyZLOQXOUABBWIQM-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.71
Rot. Bonds3

About [1-[(1-tert-butylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone

[1-[(1-tert-butylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 84592565) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is [1-[(1-tert-butylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[(1-tert-butylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID84592565
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name[1-[(1-tert-butylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCC(C)(C)n1cc(CN2CCCC(C(=O)N3CCOCC3)C2)cn1
InChIInChI=1S/C18H30N4O2/c1-18(2,3)22-13-15(11-19-22)12-20-6-4-5-16(14-20)17(23)21-7-9-24-10-8-21/h11,13,16H,4-10,12,14H2,1-3H3
InChIKeyZLOQXOUABBWIQM-UHFFFAOYSA-N
XLogP1.71
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-[(1-tert-butylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone 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

[1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 70779312
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918724
[1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918722
[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 163351854
4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
CID 51323129
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 93490177
[1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 86831548
[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 163352828
morpholin-4-yl-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone
CID 94083807
[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165432911
morpholin-4-yl-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 56706828
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185

Frequently Asked Questions

What is the IUPAC name of [1-[(1-tert-butylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[(1-tert-butylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 84592565) is [1-[(1-tert-butylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[(1-tert-butylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[(1-tert-butylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone is CC(C)(C)n1cc(CN2CCCC(C(=O)N3CCOCC3)C2)cn1.
What is the InChIKey of [1-[(1-tert-butylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is ZLOQXOUABBWIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-18(2,3)22-13-15(11-19-22)12-20-6-4-5-16(14-20)17(23)21-7-9-24-10-8-21/h11,13,16H,4-10,12,14H2,1-3H3.
What are the key properties of [1-[(1-tert-butylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
[1-[(1-tert-butylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 334.46 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-tert-butylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 84592565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).