N-[3-(1H-indol-3-yl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propyl]-N-[(2-methoxyphenyl)methyl]propanamide

C34H41N5O3 — CID 10721713

IUPACN-[3-(1H-indol-3-yl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propyl]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCCC(=O)N(Cc1ccccc1OC)CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C34H41N5O3/c1-3-34(41)39(23-26-11-7-10-16-32(26)42-2)24-28(21-27-22-35-31-15-9-8-14-30(27)31)36-33(40)25-37-17-19-38(20-18-37)29-12-5-4-6-13-29/h4-16,22,28,35H,3,17-21,23-25H2,1-2H3,(H,36,40)
InChIKeyUCXXGXCXFDKLAY-UHFFFAOYSA-N
MW567.73 g/mol
LogP4.46
Rot. Bonds12

About N-[3-(1H-indol-3-yl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propyl]-N-[(2-methoxyphenyl)methyl]propanamide

N-[3-(1H-indol-3-yl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propyl]-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 10721713) has the molecular formula C34H41N5O3 and a molecular weight of 567.73 g/mol. Its IUPAC name is N-[3-(1H-indol-3-yl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propyl]-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[3-(1H-indol-3-yl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propyl]-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID10721713
Molecular FormulaC34H41N5O3
Molecular Weight567.73 g/mol
Exact Mass567.32
IUPAC NameN-[3-(1H-indol-3-yl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propyl]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCCC(=O)N(Cc1ccccc1OC)CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C34H41N5O3/c1-3-34(41)39(23-26-11-7-10-16-32(26)42-2)24-28(21-27-22-35-31-15-9-8-14-30(27)31)36-33(40)25-37-17-19-38(20-18-37)29-12-5-4-6-13-29/h4-16,22,28,35H,3,17-21,23-25H2,1-2H3,(H,36,40)
InChIKeyUCXXGXCXFDKLAY-UHFFFAOYSA-N
XLogP4.46
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.73
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-3-yl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propyl]-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of N-[3-(1H-indol-3-yl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propyl]-N-[(2-methoxyphenyl)methyl]propanamide (CID 10721713) is N-[3-(1H-indol-3-yl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propyl]-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for N-[3-(1H-indol-3-yl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propyl]-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for N-[3-(1H-indol-3-yl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propyl]-N-[(2-methoxyphenyl)methyl]propanamide is CCC(=O)N(Cc1ccccc1OC)CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[3-(1H-indol-3-yl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propyl]-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is UCXXGXCXFDKLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N5O3/c1-3-34(41)39(23-26-11-7-10-16-32(26)42-2)24-28(21-27-22-35-31-15-9-8-14-30(27)31)36-33(40)25-37-17-19-38(20-18-37)29-12-5-4-6-13-29/h4-16,22,28,35H,3,17-21,23-25H2,1-2H3,(H,36,40).
What are the key properties of N-[3-(1H-indol-3-yl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propyl]-N-[(2-methoxyphenyl)methyl]propanamide?
N-[3-(1H-indol-3-yl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propyl]-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 567.73 g/mol, XLogP of 4.46, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-3-yl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propyl]-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 10721713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).