2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-4-propan-2-yloxyphenyl]ethyl]benzamide

C28H37N5O2 — CID 172511898

IUPAC2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-4-propan-2-yloxyphenyl]ethyl]benzamide
SMILESCc1ccc(N2CCN(C)CC2)cc1C(=O)N[C@H](C)c1ccc(OC(C)C)c(-c2cnn(C)c2)c1
InChIInChI=1S/C28H37N5O2/c1-19(2)35-27-10-8-22(15-26(27)23-17-29-32(6)18-23)21(4)30-28(34)25-16-24(9-7-20(25)3)33-13-11-31(5)12-14-33/h7-10,15-19,21H,11-14H2,1-6H3,(H,30,34)/t21-/m1/s1
InChIKeyBDZAHLMIMGCNRK-OAQYLSRUSA-N
MW475.64 g/mol
LogP4.43
Rot. Bonds7

About 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-4-propan-2-yloxyphenyl]ethyl]benzamide

2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-4-propan-2-yloxyphenyl]ethyl]benzamide (PubChem CID 172511898) has the molecular formula C28H37N5O2 and a molecular weight of 475.64 g/mol. Its IUPAC name is 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-4-propan-2-yloxyphenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-4-propan-2-yloxyphenyl]ethyl]benzamide
PubChem CID172511898
Molecular FormulaC28H37N5O2
Molecular Weight475.64 g/mol
Exact Mass475.29
IUPAC Name2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-4-propan-2-yloxyphenyl]ethyl]benzamide
SMILESCc1ccc(N2CCN(C)CC2)cc1C(=O)N[C@H](C)c1ccc(OC(C)C)c(-c2cnn(C)c2)c1
InChIInChI=1S/C28H37N5O2/c1-19(2)35-27-10-8-22(15-26(27)23-17-29-32(6)18-23)21(4)30-28(34)25-16-24(9-7-20(25)3)33-13-11-31(5)12-14-33/h7-10,15-19,21H,11-14H2,1-6H3,(H,30,34)/t21-/m1/s1
InChIKeyBDZAHLMIMGCNRK-OAQYLSRUSA-N
XLogP4.43
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.64
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-4-phenylmethoxyphenyl]ethyl]benzamide
CID 165115941
N-[1-[4-methoxy-3-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-piperazin-1-ylbenzamide
CID 165115872
2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide
CID 165115886
N-[(1R)-1-[3-(difluoromethoxy)-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
CID 165116104
2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 171086123
5-(2,6-diazaspiro[3.3]heptan-2-yl)-N-[(1R)-1-[4-methoxy-3-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methylbenzamide
CID 172511842
N-[(1R)-1-[3-(2-ethoxyethoxy)-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
CID 171086253
2-methyl-N-[(1R)-1-[3-[(Z)-1-methyliminobut-2-en-2-yl]-4-propan-2-yloxyphenyl]ethyl]-5-(4-methylpiperazin-1-yl)benzamide;molecular hydrogen
CID 165115905
N-[(1R)-1-(4-bromophenyl)ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
CID 165116022
N-[(1R)-1-[3-(1,5-dimethylpyrazol-4-yl)-5-methoxyphenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
CID 165115936
5-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide
CID 165116020
N-[(1R)-1-[4-methoxy-3-(2-methyl-3,4-dihydropyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
CID 172511861

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-4-propan-2-yloxyphenyl]ethyl]benzamide?
The IUPAC name of 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-4-propan-2-yloxyphenyl]ethyl]benzamide (CID 172511898) is 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-4-propan-2-yloxyphenyl]ethyl]benzamide.
What is the SMILES notation for 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-4-propan-2-yloxyphenyl]ethyl]benzamide?
The canonical SMILES for 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-4-propan-2-yloxyphenyl]ethyl]benzamide is Cc1ccc(N2CCN(C)CC2)cc1C(=O)N[C@H](C)c1ccc(OC(C)C)c(-c2cnn(C)c2)c1.
What is the InChIKey of 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-4-propan-2-yloxyphenyl]ethyl]benzamide?
The InChIKey is BDZAHLMIMGCNRK-OAQYLSRUSA-N. The full InChI is InChI=1S/C28H37N5O2/c1-19(2)35-27-10-8-22(15-26(27)23-17-29-32(6)18-23)21(4)30-28(34)25-16-24(9-7-20(25)3)33-13-11-31(5)12-14-33/h7-10,15-19,21H,11-14H2,1-6H3,(H,30,34)/t21-/m1/s1.
What are the key properties of 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-4-propan-2-yloxyphenyl]ethyl]benzamide?
2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-4-propan-2-yloxyphenyl]ethyl]benzamide has a molecular weight of 475.64 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-4-propan-2-yloxyphenyl]ethyl]benzamide is sourced from PubChem (CID 172511898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).