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

C32H37N5O2 — CID 165115941

IUPAC2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-4-phenylmethoxyphenyl]ethyl]benzamide
SMILESCc1ccc(N2CCN(C)CC2)cc1C(=O)N[C@H](C)c1ccc(OCc2ccccc2)c(-c2cnn(C)c2)c1
InChIInChI=1S/C32H37N5O2/c1-23-10-12-28(37-16-14-35(3)15-17-37)19-29(23)32(38)34-24(2)26-11-13-31(39-22-25-8-6-5-7-9-25)30(18-26)27-20-33-36(4)21-27/h5-13,18-21,24H,14-17,22H2,1-4H3,(H,34,38)/t24-/m1/s1
InChIKeyBRGXNWFKBUQEFY-XMMPIXPASA-N
MW523.68 g/mol
LogP5.22
Rot. Bonds8

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

2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-4-phenylmethoxyphenyl]ethyl]benzamide (PubChem CID 165115941) has the molecular formula C32H37N5O2 and a molecular weight of 523.68 g/mol. Its IUPAC name is 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-4-phenylmethoxyphenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-4-phenylmethoxyphenyl]ethyl]benzamide
PubChem CID165115941
Molecular FormulaC32H37N5O2
Molecular Weight523.68 g/mol
Exact Mass523.29
IUPAC Name2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-4-phenylmethoxyphenyl]ethyl]benzamide
SMILESCc1ccc(N2CCN(C)CC2)cc1C(=O)N[C@H](C)c1ccc(OCc2ccccc2)c(-c2cnn(C)c2)c1
InChIInChI=1S/C32H37N5O2/c1-23-10-12-28(37-16-14-35(3)15-17-37)19-29(23)32(38)34-24(2)26-11-13-31(39-22-25-8-6-5-7-9-25)30(18-26)27-20-33-36(4)21-27/h5-13,18-21,24H,14-17,22H2,1-4H3,(H,34,38)/t24-/m1/s1
InChIKeyBRGXNWFKBUQEFY-XMMPIXPASA-N
XLogP5.22
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.68
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-phenylmethoxyphenyl]ethyl]benzamide?
The IUPAC name of 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-4-phenylmethoxyphenyl]ethyl]benzamide (CID 165115941) is 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-4-phenylmethoxyphenyl]ethyl]benzamide.
What is the SMILES notation for 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-4-phenylmethoxyphenyl]ethyl]benzamide?
The canonical SMILES for 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-4-phenylmethoxyphenyl]ethyl]benzamide is Cc1ccc(N2CCN(C)CC2)cc1C(=O)N[C@H](C)c1ccc(OCc2ccccc2)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-phenylmethoxyphenyl]ethyl]benzamide?
The InChIKey is BRGXNWFKBUQEFY-XMMPIXPASA-N. The full InChI is InChI=1S/C32H37N5O2/c1-23-10-12-28(37-16-14-35(3)15-17-37)19-29(23)32(38)34-24(2)26-11-13-31(39-22-25-8-6-5-7-9-25)30(18-26)27-20-33-36(4)21-27/h5-13,18-21,24H,14-17,22H2,1-4H3,(H,34,38)/t24-/m1/s1.
What are the key properties of 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-4-phenylmethoxyphenyl]ethyl]benzamide?
2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-4-phenylmethoxyphenyl]ethyl]benzamide has a molecular weight of 523.68 g/mol, XLogP of 5.22, 8 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-phenylmethoxyphenyl]ethyl]benzamide is sourced from PubChem (CID 165115941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).