N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-pyrrol-1-ylbenzamide

C26H30N4O — CID 54551314

IUPACN-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-pyrrol-1-ylbenzamide
SMILESCN1CCN(c2cccc3c2C[C@H](NC(=O)c2ccc(-n4cccc4)cc2)CC3)CC1
InChIInChI=1S/C26H30N4O/c1-28-15-17-30(18-16-28)25-6-4-5-20-7-10-22(19-24(20)25)27-26(31)21-8-11-23(12-9-21)29-13-2-3-14-29/h2-6,8-9,11-14,22H,7,10,15-19H2,1H3,(H,27,31)/t22-/m1/s1
InChIKeyZKCBPHYKSQLXTR-JOCHJYFZSA-N
MW414.55 g/mol
LogP3.52
Rot. Bonds4

About N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-pyrrol-1-ylbenzamide

N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-pyrrol-1-ylbenzamide (PubChem CID 54551314) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-pyrrol-1-ylbenzamide
PubChem CID54551314
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC NameN-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-pyrrol-1-ylbenzamide
SMILESCN1CCN(c2cccc3c2C[C@H](NC(=O)c2ccc(-n4cccc4)cc2)CC3)CC1
InChIInChI=1S/C26H30N4O/c1-28-15-17-30(18-16-28)25-6-4-5-20-7-10-22(19-24(20)25)27-26(31)21-8-11-23(12-9-21)29-13-2-3-14-29/h2-6,8-9,11-14,22H,7,10,15-19H2,1H3,(H,27,31)/t22-/m1/s1
InChIKeyZKCBPHYKSQLXTR-JOCHJYFZSA-N
XLogP3.52
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-hydroxyphenyl)-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 18475734
4-(4-ethylphenyl)-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 54131278
[4-[[(2S)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoyl]phenyl] trifluoromethanesulfonate
CID 25055227
2-methyl-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 18475786
2-methyl-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 54135218
N-[8-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide
CID 18475701
N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]butanamide
CID 54468521
N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-propan-2-yloxypyridine-3-carboxamide
CID 74422312
6-cyclopentyloxy-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
CID 74421931
N-[(2R)-5-methoxy-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide
CID 54462702
N-[8-[(2R)-2-methylpiperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-oxopiperidin-1-yl)benzamide
CID 22082732
4-chloro-N-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 18622549

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-pyrrol-1-ylbenzamide (CID 54551314) is N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-pyrrol-1-ylbenzamide is CN1CCN(c2cccc3c2C[C@H](NC(=O)c2ccc(-n4cccc4)cc2)CC3)CC1.
What is the InChIKey of N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-pyrrol-1-ylbenzamide?
The InChIKey is ZKCBPHYKSQLXTR-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H30N4O/c1-28-15-17-30(18-16-28)25-6-4-5-20-7-10-22(19-24(20)25)27-26(31)21-8-11-23(12-9-21)29-13-2-3-14-29/h2-6,8-9,11-14,22H,7,10,15-19H2,1H3,(H,27,31)/t22-/m1/s1.
What are the key properties of N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-pyrrol-1-ylbenzamide?
N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-pyrrol-1-ylbenzamide has a molecular weight of 414.55 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 54551314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).