N-[(2,3-dimethyl-1H-indol-5-yl)methyl]morpholine-2-carboxamide;hydrochloride

C16H22ClN3O2 — CID 119754617

IUPACN-[(2,3-dimethyl-1H-indol-5-yl)methyl]morpholine-2-carboxamide;hydrochloride
SMILESCc1[nH]c2ccc(CNC(=O)C3CNCCO3)cc2c1C.Cl
InChIInChI=1S/C16H21N3O2.ClH/c1-10-11(2)19-14-4-3-12(7-13(10)14)8-18-16(20)15-9-17-5-6-21-15;/h3-4,7,15,17,19H,5-6,8-9H2,1-2H3,(H,18,20);1H
InChIKeyWGGIXGAVLIRIIE-UHFFFAOYSA-N
MW323.82 g/mol
LogP1.81
Rot. Bonds3

About N-[(2,3-dimethyl-1H-indol-5-yl)methyl]morpholine-2-carboxamide;hydrochloride

N-[(2,3-dimethyl-1H-indol-5-yl)methyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119754617) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119754617
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]morpholine-2-carboxamide;hydrochloride
SMILESCc1[nH]c2ccc(CNC(=O)C3CNCCO3)cc2c1C.Cl
InChIInChI=1S/C16H21N3O2.ClH/c1-10-11(2)19-14-4-3-12(7-13(10)14)8-18-16(20)15-9-17-5-6-21-15;/h3-4,7,15,17,19H,5-6,8-9H2,1-2H3,(H,18,20);1H
InChIKeyWGGIXGAVLIRIIE-UHFFFAOYSA-N
XLogP1.81
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 154900926
N-[[4-(methoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119718146
N-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119705770
N-[[3-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 119767529
N-[[4-(ethoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119718295
N-[[3-(ethylcarbamoyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119734842
N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]morpholine-2-carboxamide
CID 119758431
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119719704
(2S)-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-2-carboxamide
CID 99943698
9-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987588
3-[4-[(2,3-dimethyl-1H-indol-5-yl)methylcarbamoyl]oxolan-2-yl]propanoic acid
CID 154783519
N-[[4-(2-methylpropanoylamino)phenyl]methyl]morpholine-2-carboxamide
CID 119701239

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]morpholine-2-carboxamide;hydrochloride (CID 119754617) is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]morpholine-2-carboxamide;hydrochloride is Cc1[nH]c2ccc(CNC(=O)C3CNCCO3)cc2c1C.Cl.
What is the InChIKey of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is WGGIXGAVLIRIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.ClH/c1-10-11(2)19-14-4-3-12(7-13(10)14)8-18-16(20)15-9-17-5-6-21-15;/h3-4,7,15,17,19H,5-6,8-9H2,1-2H3,(H,18,20);1H.
What are the key properties of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]morpholine-2-carboxamide;hydrochloride?
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119754617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).