N-[2-(4-methoxyphenyl)ethyl]spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-carboxamide

C23H29N3O2 — CID 175653653

IUPACN-[2-(4-methoxyphenyl)ethyl]spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCC3(CC2)Cc2ccccc2CN3)cc1
InChIInChI=1S/C23H29N3O2/c1-28-21-8-6-18(7-9-21)10-13-24-22(27)26-14-11-23(12-15-26)16-19-4-2-3-5-20(19)17-25-23/h2-9,25H,10-17H2,1H3,(H,24,27)
InChIKeyDEFORPMXSHKTET-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.13
Rot. Bonds4

About N-[2-(4-methoxyphenyl)ethyl]spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-carboxamide

N-[2-(4-methoxyphenyl)ethyl]spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-carboxamide (PubChem CID 175653653) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-carboxamide
PubChem CID175653653
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCC3(CC2)Cc2ccccc2CN3)cc1
InChIInChI=1S/C23H29N3O2/c1-28-21-8-6-18(7-9-21)10-13-24-22(27)26-14-11-23(12-15-26)16-19-4-2-3-5-20(19)17-25-23/h2-9,25H,10-17H2,1H3,(H,24,27)
InChIKeyDEFORPMXSHKTET-UHFFFAOYSA-N
XLogP3.13
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140
4-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113103421
N-[2-(4-methoxyphenyl)ethyl]-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide
CID 167881078
4-benzamido-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 127163757
N-[4-(4-methoxyphenyl)butyl]pyrrolidine-1-carboxamide
CID 75377861
4-hydroxy-N-[3-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
CID 118398472
N-[2-(4-chlorophenyl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 108989697
(9aR)-N-[2-(4-methoxyphenyl)ethyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 98742869
(9aS)-N-[2-(4-methoxyphenyl)ethyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 95127897
3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 90505512
[1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidin-4-yl] N-[2-(4-methoxyphenyl)ethyl]carbamate
CID 71133930
N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylpiperidine-1-carboxamide
CID 108901943

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-carboxamide (CID 175653653) is N-[2-(4-methoxyphenyl)ethyl]spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-carboxamide is COc1ccc(CCNC(=O)N2CCC3(CC2)Cc2ccccc2CN3)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-carboxamide?
The InChIKey is DEFORPMXSHKTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-28-21-8-6-18(7-9-21)10-13-24-22(27)26-14-11-23(12-15-26)16-19-4-2-3-5-20(19)17-25-23/h2-9,25H,10-17H2,1H3,(H,24,27).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 175653653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).