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

C27H34N4O2 — CID 22082732

IUPACN-[8-[(2R)-2-methylpiperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-oxopiperidin-1-yl)benzamide
SMILESC[C@@H]1CNCCN1c1cccc2c1CC(NC(=O)c1ccc(N3CCC(=O)CC3)cc1)CC2
InChIInChI=1S/C27H34N4O2/c1-19-18-28-13-16-31(19)26-4-2-3-20-5-8-22(17-25(20)26)29-27(33)21-6-9-23(10-7-21)30-14-11-24(32)12-15-30/h2-4,6-7,9-10,19,22,28H,5,8,11-18H2,1H3,(H,29,33)/t19-,22?/m1/s1
InChIKeyZXRHEEQIOKITCF-LCQOSCCDSA-N
MW446.60 g/mol
LogP2.94
Rot. Bonds4

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

N-[8-[(2R)-2-methylpiperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-oxopiperidin-1-yl)benzamide (PubChem CID 22082732) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-[8-[(2R)-2-methylpiperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-oxopiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[8-[(2R)-2-methylpiperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-oxopiperidin-1-yl)benzamide
PubChem CID22082732
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC NameN-[8-[(2R)-2-methylpiperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-oxopiperidin-1-yl)benzamide
SMILESC[C@@H]1CNCCN1c1cccc2c1CC(NC(=O)c1ccc(N3CCC(=O)CC3)cc1)CC2
InChIInChI=1S/C27H34N4O2/c1-19-18-28-13-16-31(19)26-4-2-3-20-5-8-22(17-25(20)26)29-27(33)21-6-9-23(10-7-21)30-14-11-24(32)12-15-30/h2-4,6-7,9-10,19,22,28H,5,8,11-18H2,1H3,(H,29,33)/t19-,22?/m1/s1
InChIKeyZXRHEEQIOKITCF-LCQOSCCDSA-N
XLogP2.94
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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]-4-pyrrol-1-ylbenzamide
CID 54551314
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
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
[4-[[(2S)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoyl]phenyl] trifluoromethanesulfonate
CID 25055227
4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119454257
N-[(2R)-5-methoxy-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide
CID 54462702
3-[(2S)-2-methylpiperazin-1-yl]benzoic acid
CID 45073187
6-(azonan-1-yl)-N-[(3R)-pyrrolidin-3-yl]cyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 139502337
N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-propan-2-yloxypyridine-3-carboxamide
CID 74422312

Frequently Asked Questions

What is the IUPAC name of N-[8-[(2R)-2-methylpiperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-oxopiperidin-1-yl)benzamide?
The IUPAC name of N-[8-[(2R)-2-methylpiperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-oxopiperidin-1-yl)benzamide (CID 22082732) is N-[8-[(2R)-2-methylpiperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-oxopiperidin-1-yl)benzamide.
What is the SMILES notation for N-[8-[(2R)-2-methylpiperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-oxopiperidin-1-yl)benzamide?
The canonical SMILES for N-[8-[(2R)-2-methylpiperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-oxopiperidin-1-yl)benzamide is C[C@@H]1CNCCN1c1cccc2c1CC(NC(=O)c1ccc(N3CCC(=O)CC3)cc1)CC2.
What is the InChIKey of N-[8-[(2R)-2-methylpiperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-oxopiperidin-1-yl)benzamide?
The InChIKey is ZXRHEEQIOKITCF-LCQOSCCDSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-19-18-28-13-16-31(19)26-4-2-3-20-5-8-22(17-25(20)26)29-27(33)21-6-9-23(10-7-21)30-14-11-24(32)12-15-30/h2-4,6-7,9-10,19,22,28H,5,8,11-18H2,1H3,(H,29,33)/t19-,22?/m1/s1.
What are the key properties of N-[8-[(2R)-2-methylpiperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-oxopiperidin-1-yl)benzamide?
N-[8-[(2R)-2-methylpiperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-oxopiperidin-1-yl)benzamide has a molecular weight of 446.60 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[(2R)-2-methylpiperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-oxopiperidin-1-yl)benzamide is sourced from PubChem (CID 22082732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).