N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride

C20H25Cl2N3O2 — CID 119866777

IUPACN-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(CN2CCc3ccccc32)cc1)C1COCCN1
InChIInChI=1S/C20H23N3O2.2ClH/c24-20(18-14-25-12-10-21-18)22-17-7-5-15(6-8-17)13-23-11-9-16-3-1-2-4-19(16)23;;/h1-8,18,21H,9-14H2,(H,22,24);2*1H
InChIKeyJBBXAZSWPYCHFJ-UHFFFAOYSA-N
MW410.35 g/mol
LogP3.02
Rot. Bonds4

About N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride

N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride (PubChem CID 119866777) has the molecular formula C20H25Cl2N3O2 and a molecular weight of 410.35 g/mol. Its IUPAC name is N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride
PubChem CID119866777
Molecular FormulaC20H25Cl2N3O2
Molecular Weight410.35 g/mol
Exact Mass409.13
IUPAC NameN-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(CN2CCc3ccccc32)cc1)C1COCCN1
InChIInChI=1S/C20H23N3O2.2ClH/c24-20(18-14-25-12-10-21-18)22-17-7-5-15(6-8-17)13-23-11-9-16-3-1-2-4-19(16)23;;/h1-8,18,21H,9-14H2,(H,22,24);2*1H
InChIKeyJBBXAZSWPYCHFJ-UHFFFAOYSA-N
XLogP3.02
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119866803
N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119866796
N-[4-(azepan-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride
CID 119867908
N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride
CID 119759666
N-[2-(2,3-dihydroindol-1-yl)propyl]morpholine-3-carboxamide;dihydrochloride
CID 119856776
N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride
CID 119756087
2,3-dihydroindol-1-yl(morpholin-3-yl)methanone;hydrochloride
CID 119673083
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]morpholine-3-carboxamide
CID 119712459
N-(4-phenoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 75422319
N-[4-(2-methylpropyl)phenyl]morpholine-3-carboxamide
CID 115177537
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
N-[4-(azepane-1-carbonylamino)phenyl]morpholine-3-carboxamide
CID 119761499

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride (CID 119866777) is N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc(CN2CCc3ccccc32)cc1)C1COCCN1.
What is the InChIKey of N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride?
The InChIKey is JBBXAZSWPYCHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.2ClH/c24-20(18-14-25-12-10-21-18)22-17-7-5-15(6-8-17)13-23-11-9-16-3-1-2-4-19(16)23;;/h1-8,18,21H,9-14H2,(H,22,24);2*1H.
What are the key properties of N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride?
N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride has a molecular weight of 410.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119866777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).