(3-aminocyclohexyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone

C16H26N4O2 — CID 119881058

IUPAC(3-aminocyclohexyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone
SMILESCc1cnn(CC2CN(C(=O)C3CCCC(N)C3)CCO2)c1
InChIInChI=1S/C16H26N4O2/c1-12-8-18-20(9-12)11-15-10-19(5-6-22-15)16(21)13-3-2-4-14(17)7-13/h8-9,13-15H,2-7,10-11,17H2,1H3
InChIKeyCSMNXDRLKIDFFE-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.94
Rot. Bonds3

About (3-aminocyclohexyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone

(3-aminocyclohexyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone (PubChem CID 119881058) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3-aminocyclohexyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-aminocyclohexyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone
PubChem CID119881058
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(3-aminocyclohexyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone
SMILESCc1cnn(CC2CN(C(=O)C3CCCC(N)C3)CCO2)c1
InChIInChI=1S/C16H26N4O2/c1-12-8-18-20(9-12)11-15-10-19(5-6-22-15)16(21)13-3-2-4-14(17)7-13/h8-9,13-15H,2-7,10-11,17H2,1H3
InChIKeyCSMNXDRLKIDFFE-UHFFFAOYSA-N
XLogP0.94
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-aminocyclohexyl)-(2-ethylmorpholin-4-yl)methanone;hydrochloride
CID 119703676
N-(3-cyclopentylpropyl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide
CID 166203151
N-[(3,3-dimethylcyclohexyl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide
CID 128632413
[(1R,3S)-3-aminocyclohexyl]-[(2R)-2-(2-methylphenyl)morpholin-4-yl]methanone
CID 125153639
(2-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride
CID 119947134
2-methyl-3-(methylamino)-1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propan-1-one
CID 119881078
(3-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone
CID 119881082
3-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexane-1-carboxamide
CID 63044481
1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 136525112
1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-piperidin-3-ylbutan-1-one
CID 119881066
N-[5-methyl-2-(4-methylpyrazol-1-yl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide
CID 126795527
(3-aminocyclohexyl)-morpholin-4-ylmethanone
CID 62775770

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone?
The IUPAC name of (3-aminocyclohexyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone (CID 119881058) is (3-aminocyclohexyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (3-aminocyclohexyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone?
The canonical SMILES for (3-aminocyclohexyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone is Cc1cnn(CC2CN(C(=O)C3CCCC(N)C3)CCO2)c1.
What is the InChIKey of (3-aminocyclohexyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone?
The InChIKey is CSMNXDRLKIDFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12-8-18-20(9-12)11-15-10-19(5-6-22-15)16(21)13-3-2-4-14(17)7-13/h8-9,13-15H,2-7,10-11,17H2,1H3.
What are the key properties of (3-aminocyclohexyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone?
(3-aminocyclohexyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone has a molecular weight of 306.41 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 119881058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).