1-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]indole-2-carboxamide

C21H24N3O2+ — CID 7327969

IUPAC1-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc2ccccc21
InChIInChI=1S/C21H23N3O2/c1-23-19-5-3-2-4-17(19)14-20(23)21(25)22-18-8-6-16(7-9-18)15-24-10-12-26-13-11-24/h2-9,14H,10-13,15H2,1H3,(H,22,25)/p+1
InChIKeyBAWGCVLZNVQHNY-UHFFFAOYSA-O
MW350.44 g/mol
LogP1.85
Rot. Bonds4

About 1-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]indole-2-carboxamide

1-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]indole-2-carboxamide (PubChem CID 7327969) has the molecular formula C21H24N3O2+ and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]indole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]indole-2-carboxamide
PubChem CID7327969
Molecular FormulaC21H24N3O2+
Molecular Weight350.44 g/mol
Exact Mass350.19
IUPAC Name1-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc2ccccc21
InChIInChI=1S/C21H23N3O2/c1-23-19-5-3-2-4-17(19)14-20(23)21(25)22-18-8-6-16(7-9-18)15-24-10-12-26-13-11-24/h2-9,14H,10-13,15H2,1H3,(H,22,25)/p+1
InChIKeyBAWGCVLZNVQHNY-UHFFFAOYSA-O
XLogP1.85
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide
CID 6949963
1-methyl-N-(4-piperidin-1-ylphenyl)indole-2-carboxamide
CID 60527502
3-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
CID 6949966
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
5-methyl-N-[4-[(1-methylindole-2-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 47072560
N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 6958040
1-methyl-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]indole-2-carboxamide
CID 55873164
1-methyl-N-(1H-pyrazol-4-yl)indole-2-carboxamide
CID 166206735
N-(2-methyl-1,3-benzothiazol-6-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 9046668
2-[3-chloro-4-[2-methyl-4-[(1-methylindole-2-carbonyl)amino]phenoxy]phenyl]acetic acid
CID 70985142
N-(2-ethyl-6-methylphenyl)-1-methylindole-2-carboxamide
CID 113207081

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]indole-2-carboxamide?
The IUPAC name of 1-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]indole-2-carboxamide (CID 7327969) is 1-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]indole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]indole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]indole-2-carboxamide is Cn1c(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc2ccccc21.
What is the InChIKey of 1-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]indole-2-carboxamide?
The InChIKey is BAWGCVLZNVQHNY-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H23N3O2/c1-23-19-5-3-2-4-17(19)14-20(23)21(25)22-18-8-6-16(7-9-18)15-24-10-12-26-13-11-24/h2-9,14H,10-13,15H2,1H3,(H,22,25)/p+1.
What are the key properties of 1-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]indole-2-carboxamide?
1-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]indole-2-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]indole-2-carboxamide is sourced from PubChem (CID 7327969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).