N-cyclopropyl-4-(morpholin-4-ium-4-ylmethyl)benzamide

C15H21N2O2+ — CID 7457311

IUPACN-cyclopropyl-4-(morpholin-4-ium-4-ylmethyl)benzamide
SMILESO=C(NC1CC1)c1ccc(C[NH+]2CCOCC2)cc1
InChIInChI=1S/C15H20N2O2/c18-15(16-14-5-6-14)13-3-1-12(2-4-13)11-17-7-9-19-10-8-17/h1-4,14H,5-11H2,(H,16,18)/p+1
InChIKeyDDGILAGPWDXUCF-UHFFFAOYSA-O
MW261.34 g/mol
LogP-0.01
Rot. Bonds4

About N-cyclopropyl-4-(morpholin-4-ium-4-ylmethyl)benzamide

N-cyclopropyl-4-(morpholin-4-ium-4-ylmethyl)benzamide (PubChem CID 7457311) has the molecular formula C15H21N2O2+ and a molecular weight of 261.34 g/mol. Its IUPAC name is N-cyclopropyl-4-(morpholin-4-ium-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(morpholin-4-ium-4-ylmethyl)benzamide
PubChem CID7457311
Molecular FormulaC15H21N2O2+
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-cyclopropyl-4-(morpholin-4-ium-4-ylmethyl)benzamide
SMILESO=C(NC1CC1)c1ccc(C[NH+]2CCOCC2)cc1
InChIInChI=1S/C15H20N2O2/c18-15(16-14-5-6-14)13-3-1-12(2-4-13)11-17-7-9-19-10-8-17/h1-4,14H,5-11H2,(H,16,18)/p+1
InChIKeyDDGILAGPWDXUCF-UHFFFAOYSA-O
XLogP-0.01
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate
CID 7768496
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate
CID 7768939
4-(morpholin-4-ium-4-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 6946389
N-benzyl-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7460088
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate
CID 7768923
N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-propan-2-ylbenzamide
CID 8589992
N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-methylsulfanylbenzamide
CID 8590292
N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-methylsulfonylbenzamide
CID 8590224
N-(3-acetamidophenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7393123
4-(morpholin-4-ium-4-ylmethyl)-N-(4-propan-2-ylphenyl)benzamide
CID 7500396
N-(benzylideneamino)-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 3663475
N-cycloheptyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide
CID 6980201

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(morpholin-4-ium-4-ylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-4-(morpholin-4-ium-4-ylmethyl)benzamide (CID 7457311) is N-cyclopropyl-4-(morpholin-4-ium-4-ylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(morpholin-4-ium-4-ylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-4-(morpholin-4-ium-4-ylmethyl)benzamide is O=C(NC1CC1)c1ccc(C[NH+]2CCOCC2)cc1.
What is the InChIKey of N-cyclopropyl-4-(morpholin-4-ium-4-ylmethyl)benzamide?
The InChIKey is DDGILAGPWDXUCF-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20N2O2/c18-15(16-14-5-6-14)13-3-1-12(2-4-13)11-17-7-9-19-10-8-17/h1-4,14H,5-11H2,(H,16,18)/p+1.
What are the key properties of N-cyclopropyl-4-(morpholin-4-ium-4-ylmethyl)benzamide?
N-cyclopropyl-4-(morpholin-4-ium-4-ylmethyl)benzamide has a molecular weight of 261.34 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(morpholin-4-ium-4-ylmethyl)benzamide is sourced from PubChem (CID 7457311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).