8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C27H34N4O3 — CID 57162913

IUPAC8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCN1CCN(c2cccc3c2CC(C(=O)Nc2ccc(C(=O)N4CCOCC4)cc2)CC3)CC1
InChIInChI=1S/C27H34N4O3/c1-29-11-13-30(14-12-29)25-4-2-3-20-5-6-22(19-24(20)25)26(32)28-23-9-7-21(8-10-23)27(33)31-15-17-34-18-16-31/h2-4,7-10,22H,5-6,11-19H2,1H3,(H,28,32)
InChIKeyRYSFGDACHXFFSN-UHFFFAOYSA-N
MW462.59 g/mol
LogP2.65
Rot. Bonds4

About 8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 57162913) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is 8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID57162913
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC Name8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCN1CCN(c2cccc3c2CC(C(=O)Nc2ccc(C(=O)N4CCOCC4)cc2)CC3)CC1
InChIInChI=1S/C27H34N4O3/c1-29-11-13-30(14-12-29)25-4-2-3-20-5-6-22(19-24(20)25)26(32)28-23-9-7-21(8-10-23)27(33)31-15-17-34-18-16-31/h2-4,7-10,22H,5-6,11-19H2,1H3,(H,28,32)
InChIKeyRYSFGDACHXFFSN-UHFFFAOYSA-N
XLogP2.65
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide with MolForge

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Related Compounds

trans-(1S,2S)-2-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1080146
4-(cyclopropanecarbonylamino)-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 55359299
2-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide;dihydrobromide
CID 155102304
1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 108741161
N-[4-(morpholine-4-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153816
3,4-dimethyl-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 4139595
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]cyclopropanecarboxamide
CID 83290450
2,2-dichloro-N-[4-(morpholine-4-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 78892227
1-(cyclopropanecarbonyl)-N-[4-[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide
CID 44825596
6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 143452423
N-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide
CID 1055927
N-[3-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119283240

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 57162913) is 8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CN1CCN(c2cccc3c2CC(C(=O)Nc2ccc(C(=O)N4CCOCC4)cc2)CC3)CC1.
What is the InChIKey of 8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is RYSFGDACHXFFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-29-11-13-30(14-12-29)25-4-2-3-20-5-6-22(19-24(20)25)26(32)28-23-9-7-21(8-10-23)27(33)31-15-17-34-18-16-31/h2-4,7-10,22H,5-6,11-19H2,1H3,(H,28,32).
What are the key properties of 8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 462.59 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 57162913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).