N-[8-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide

C27H36N4O2 — CID 18475701

IUPACN-[8-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide
SMILESCCN1CCN(c2cccc3c2CC(NC(=O)c2ccc(N4CCOCC4)cc2)CC3)CC1
InChIInChI=1S/C27H36N4O2/c1-2-29-12-14-31(15-13-29)26-5-3-4-21-6-9-23(20-25(21)26)28-27(32)22-7-10-24(11-8-22)30-16-18-33-19-17-30/h3-5,7-8,10-11,23H,2,6,9,12-20H2,1H3,(H,28,32)
InChIKeyFTCLFWOUOUOQEH-UHFFFAOYSA-N
MW448.61 g/mol
LogP2.95
Rot. Bonds5

About N-[8-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide

N-[8-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide (PubChem CID 18475701) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is N-[8-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[8-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide
PubChem CID18475701
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC NameN-[8-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide
SMILESCCN1CCN(c2cccc3c2CC(NC(=O)c2ccc(N4CCOCC4)cc2)CC3)CC1
InChIInChI=1S/C27H36N4O2/c1-2-29-12-14-31(15-13-29)26-5-3-4-21-6-9-23(20-25(21)26)28-27(32)22-7-10-24(11-8-22)30-16-18-33-19-17-30/h3-5,7-8,10-11,23H,2,6,9,12-20H2,1H3,(H,28,32)
InChIKeyFTCLFWOUOUOQEH-UHFFFAOYSA-N
XLogP2.95
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[8-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide with MolForge

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Related Compounds

N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-pyrrol-1-ylbenzamide
CID 54551314
4-(4-ethylphenyl)-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 54131278
N-[(2R)-5-methoxy-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide
CID 54462702
4-(4-hydroxyphenyl)-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 18475734
N-[8-[(2R)-2-methylpiperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-oxopiperidin-1-yl)benzamide
CID 22082732
N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]butanamide
CID 54468521
[4-[[(2S)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoyl]phenyl] trifluoromethanesulfonate
CID 25055227
2-methyl-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 54135218
2-methyl-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 18475786
6-cyclopentyloxy-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
CID 74421931
N-[(1R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-morpholin-4-ylbenzamide
CID 150354881
N-(3-aminocyclobutyl)-4-morpholin-4-ylbenzamide
CID 146249126

Frequently Asked Questions

What is the IUPAC name of N-[8-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[8-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide (CID 18475701) is N-[8-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[8-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[8-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide is CCN1CCN(c2cccc3c2CC(NC(=O)c2ccc(N4CCOCC4)cc2)CC3)CC1.
What is the InChIKey of N-[8-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide?
The InChIKey is FTCLFWOUOUOQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O2/c1-2-29-12-14-31(15-13-29)26-5-3-4-21-6-9-23(20-25(21)26)28-27(32)22-7-10-24(11-8-22)30-16-18-33-19-17-30/h3-5,7-8,10-11,23H,2,6,9,12-20H2,1H3,(H,28,32).
What are the key properties of N-[8-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide?
N-[8-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide has a molecular weight of 448.61 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 18475701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).