N-[(3,3-dimethylcyclohexyl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide

C19H32N4O2 — CID 128632413

IUPACN-[(3,3-dimethylcyclohexyl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide
SMILESCc1cnn(CC2CN(C(=O)NCC3CCCC(C)(C)C3)CCO2)c1
InChIInChI=1S/C19H32N4O2/c1-15-10-21-23(12-15)14-17-13-22(7-8-25-17)18(24)20-11-16-5-4-6-19(2,3)9-16/h10,12,16-17H,4-9,11,13-14H2,1-3H3,(H,20,24)
InChIKeyREPSTUZNNMEOIK-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.82
Rot. Bonds4

About N-[(3,3-dimethylcyclohexyl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide

N-[(3,3-dimethylcyclohexyl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide (PubChem CID 128632413) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[(3,3-dimethylcyclohexyl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,3-dimethylcyclohexyl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide
PubChem CID128632413
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN-[(3,3-dimethylcyclohexyl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide
SMILESCc1cnn(CC2CN(C(=O)NCC3CCCC(C)(C)C3)CCO2)c1
InChIInChI=1S/C19H32N4O2/c1-15-10-21-23(12-15)14-17-13-22(7-8-25-17)18(24)20-11-16-5-4-6-19(2,3)9-16/h10,12,16-17H,4-9,11,13-14H2,1-3H3,(H,20,24)
InChIKeyREPSTUZNNMEOIK-UHFFFAOYSA-N
XLogP2.82
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,3-dimethylcyclohexyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide
CID 166351619
N-(3-cyclopentylpropyl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide
CID 166203151
(3-aminocyclohexyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone
CID 119881058
2-methyl-3-(methylamino)-1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propan-1-one
CID 119881078
N-[5-methyl-2-(4-methylpyrazol-1-yl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide
CID 126795527
(2-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride
CID 119947134
1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 136525112
2-[[4-[(4,4-dimethylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122008099
(3-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone
CID 119881082
1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-piperidin-3-ylbutan-1-one
CID 119881066
tert-butyl 2-[(4-aminopyrazol-1-yl)methyl]morpholine-4-carboxylate
CID 118023184
(2R)-2-benzyl-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]morpholine-4-carboxamide
CID 97337261

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethylcyclohexyl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of N-[(3,3-dimethylcyclohexyl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide (CID 128632413) is N-[(3,3-dimethylcyclohexyl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(3,3-dimethylcyclohexyl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(3,3-dimethylcyclohexyl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide is Cc1cnn(CC2CN(C(=O)NCC3CCCC(C)(C)C3)CCO2)c1.
What is the InChIKey of N-[(3,3-dimethylcyclohexyl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide?
The InChIKey is REPSTUZNNMEOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-15-10-21-23(12-15)14-17-13-22(7-8-25-17)18(24)20-11-16-5-4-6-19(2,3)9-16/h10,12,16-17H,4-9,11,13-14H2,1-3H3,(H,20,24).
What are the key properties of N-[(3,3-dimethylcyclohexyl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide?
N-[(3,3-dimethylcyclohexyl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethylcyclohexyl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 128632413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).