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

C18H30N4O2 — CID 166203151

IUPACN-(3-cyclopentylpropyl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide
SMILESCc1cnn(CC2CN(C(=O)NCCCC3CCCC3)CCO2)c1
InChIInChI=1S/C18H30N4O2/c1-15-11-20-22(12-15)14-17-13-21(9-10-24-17)18(23)19-8-4-7-16-5-2-3-6-16/h11-12,16-17H,2-10,13-14H2,1H3,(H,19,23)
InChIKeyCRDVRZVELKJFDB-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.57
Rot. Bonds6

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

N-(3-cyclopentylpropyl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide (PubChem CID 166203151) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide
PubChem CID166203151
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-(3-cyclopentylpropyl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide
SMILESCc1cnn(CC2CN(C(=O)NCCCC3CCCC3)CCO2)c1
InChIInChI=1S/C18H30N4O2/c1-15-11-20-22(12-15)14-17-13-21(9-10-24-17)18(23)19-8-4-7-16-5-2-3-6-16/h11-12,16-17H,2-10,13-14H2,1H3,(H,19,23)
InChIKeyCRDVRZVELKJFDB-UHFFFAOYSA-N
XLogP2.57
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3,3-dimethylcyclohexyl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide
CID 128632413
(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
N-(2-cyclopentylethyl)-2-methylmorpholine-4-carboxamide
CID 78892468
(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
N-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboxamide
CID 113238079
(2R)-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide
CID 129379201
4-(3-hydroxypropyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide
CID 154752369

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of N-(3-cyclopentylpropyl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide (CID 166203151) is N-(3-cyclopentylpropyl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide is Cc1cnn(CC2CN(C(=O)NCCCC3CCCC3)CCO2)c1.
What is the InChIKey of N-(3-cyclopentylpropyl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide?
The InChIKey is CRDVRZVELKJFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-15-11-20-22(12-15)14-17-13-21(9-10-24-17)18(23)19-8-4-7-16-5-2-3-6-16/h11-12,16-17H,2-10,13-14H2,1H3,(H,19,23).
What are the key properties of N-(3-cyclopentylpropyl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide?
N-(3-cyclopentylpropyl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 166203151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).