4-[(3-chloro-1H-indol-2-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide

C16H20ClN3O2 — CID 131947858

IUPAC4-[(3-chloro-1H-indol-2-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide
SMILESCN(C)C(=O)C1CN(Cc2[nH]c3ccccc3c2Cl)CCO1
InChIInChI=1S/C16H20ClN3O2/c1-19(2)16(21)14-10-20(7-8-22-14)9-13-15(17)11-5-3-4-6-12(11)18-13/h3-6,14,18H,7-10H2,1-2H3
InChIKeyAJRVGNWTPSSHIT-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.11
Rot. Bonds3

About 4-[(3-chloro-1H-indol-2-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide

4-[(3-chloro-1H-indol-2-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide (PubChem CID 131947858) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 4-[(3-chloro-1H-indol-2-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-[(3-chloro-1H-indol-2-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide
PubChem CID131947858
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name4-[(3-chloro-1H-indol-2-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide
SMILESCN(C)C(=O)C1CN(Cc2[nH]c3ccccc3c2Cl)CCO1
InChIInChI=1S/C16H20ClN3O2/c1-19(2)16(21)14-10-20(7-8-22-14)9-13-15(17)11-5-3-4-6-12(11)18-13/h3-6,14,18H,7-10H2,1-2H3
InChIKeyAJRVGNWTPSSHIT-UHFFFAOYSA-N
XLogP2.11
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-N,N-dimethylmorpholine-2-carboxamide;N,N-dimethylmorpholine-2-carboxamide
CID 161414096
2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid
CID 124589089
(2S)-4-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]-N,N-dimethylmorpholine-2-carboxamide
CID 95862793
2-[(4-benzylmorpholine-2-carbonyl)-methylamino]propanoic acid
CID 119359267
N,N-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide
CID 131928614
N,N-dimethyl-4-propylmorpholine-2-carboxamide
CID 177158448
4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide
CID 131935697
N-[1-[(3-chloro-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide
CID 16673789
4-[2-(2-methoxyanilino)-2-oxoethyl]-N,N-dimethylmorpholine-2-carboxamide
CID 171327785
4-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)morpholine-2-carboxamide
CID 111596452
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(1H-indol-3-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide
CID 57432163
methyl 4-[(2,3-dichlorophenyl)methyl]morpholine-2-carboxylate
CID 113346045

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-1H-indol-2-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide?
The IUPAC name of 4-[(3-chloro-1H-indol-2-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide (CID 131947858) is 4-[(3-chloro-1H-indol-2-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide.
What is the SMILES notation for 4-[(3-chloro-1H-indol-2-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide?
The canonical SMILES for 4-[(3-chloro-1H-indol-2-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide is CN(C)C(=O)C1CN(Cc2[nH]c3ccccc3c2Cl)CCO1.
What is the InChIKey of 4-[(3-chloro-1H-indol-2-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide?
The InChIKey is AJRVGNWTPSSHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-19(2)16(21)14-10-20(7-8-22-14)9-13-15(17)11-5-3-4-6-12(11)18-13/h3-6,14,18H,7-10H2,1-2H3.
What are the key properties of 4-[(3-chloro-1H-indol-2-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide?
4-[(3-chloro-1H-indol-2-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide has a molecular weight of 321.81 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-1H-indol-2-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide is sourced from PubChem (CID 131947858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).