N-[(1R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-morpholin-4-ylbenzamide

C27H36N4O2 — CID 150354881

IUPACN-[(1R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-morpholin-4-ylbenzamide
SMILESCc1ccc(N2CCN(C)CC2)c2c1CCC[C@H]2NC(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C27H36N4O2/c1-20-6-11-25(31-14-12-29(2)13-15-31)26-23(20)4-3-5-24(26)28-27(32)21-7-9-22(10-8-21)30-16-18-33-19-17-30/h6-11,24H,3-5,12-19H2,1-2H3,(H,28,32)/t24-/m1/s1
InChIKeyGUMUNPPPVJEKCN-XMMPIXPASA-N
MW448.61 g/mol
LogP3.39
Rot. Bonds4

About N-[(1R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-morpholin-4-ylbenzamide

N-[(1R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-morpholin-4-ylbenzamide (PubChem CID 150354881) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is N-[(1R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(1R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-morpholin-4-ylbenzamide
PubChem CID150354881
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC NameN-[(1R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-morpholin-4-ylbenzamide
SMILESCc1ccc(N2CCN(C)CC2)c2c1CCC[C@H]2NC(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C27H36N4O2/c1-20-6-11-25(31-14-12-29(2)13-15-31)26-23(20)4-3-5-24(26)28-27(32)21-7-9-22(10-8-21)30-16-18-33-19-17-30/h6-11,24H,3-5,12-19H2,1-2H3,(H,28,32)/t24-/m1/s1
InChIKeyGUMUNPPPVJEKCN-XMMPIXPASA-N
XLogP3.39
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[(1R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-morpholin-4-ylbenzamide (CID 150354881) is N-[(1R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[(1R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[(1R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-morpholin-4-ylbenzamide is Cc1ccc(N2CCN(C)CC2)c2c1CCC[C@H]2NC(=O)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[(1R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-morpholin-4-ylbenzamide?
The InChIKey is GUMUNPPPVJEKCN-XMMPIXPASA-N. The full InChI is InChI=1S/C27H36N4O2/c1-20-6-11-25(31-14-12-29(2)13-15-31)26-23(20)4-3-5-24(26)28-27(32)21-7-9-22(10-8-21)30-16-18-33-19-17-30/h6-11,24H,3-5,12-19H2,1-2H3,(H,28,32)/t24-/m1/s1.
What are the key properties of N-[(1R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-morpholin-4-ylbenzamide?
N-[(1R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-morpholin-4-ylbenzamide has a molecular weight of 448.61 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 150354881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).