4-(1H-indol-3-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide

C30H34N4O — CID 39173364

IUPAC4-(1H-indol-3-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCc1ccccc1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C30H34N4O/c35-30(16-8-11-25-22-31-29-15-7-6-14-28(25)29)32-21-24-9-4-5-10-26(24)23-33-17-19-34(20-18-33)27-12-2-1-3-13-27/h1-7,9-10,12-15,22,31H,8,11,16-21,23H2,(H,32,35)
InChIKeyZSEIGPWOTCCZFU-UHFFFAOYSA-N
MW466.63 g/mol
LogP5.13
Rot. Bonds9

About 4-(1H-indol-3-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide

4-(1H-indol-3-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide (PubChem CID 39173364) has the molecular formula C30H34N4O and a molecular weight of 466.63 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
PubChem CID39173364
Molecular FormulaC30H34N4O
Molecular Weight466.63 g/mol
Exact Mass466.27
IUPAC Name4-(1H-indol-3-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCc1ccccc1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C30H34N4O/c35-30(16-8-11-25-22-31-29-15-7-6-14-28(25)29)32-21-24-9-4-5-10-26(24)23-33-17-19-34(20-18-33)27-12-2-1-3-13-27/h1-7,9-10,12-15,22,31H,8,11,16-21,23H2,(H,32,35)
InChIKeyZSEIGPWOTCCZFU-UHFFFAOYSA-N
XLogP5.13
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(1H-indol-3-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide with MolForge

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Related Compounds

4-(1H-benzimidazol-2-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 36554051
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 39985541
2-(1H-indol-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 55602446
4-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide
CID 38541510
4-(4-fluorophenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 36553152
2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 47083014
N-[2-(1H-indol-3-yl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 44892225
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-[(2-ethylphenyl)methyl]-3-(1H-indol-3-yl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propanamide
CID 19074794
4-(1H-indol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 16582538
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
2-[2-(1H-indol-3-yl)ethylamino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002111

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide (CID 39173364) is 4-(1H-indol-3-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide is O=C(CCCc1c[nH]c2ccccc12)NCc1ccccc1CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide?
The InChIKey is ZSEIGPWOTCCZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O/c35-30(16-8-11-25-22-31-29-15-7-6-14-28(25)29)32-21-24-9-4-5-10-26(24)23-33-17-19-34(20-18-33)27-12-2-1-3-13-27/h1-7,9-10,12-15,22,31H,8,11,16-21,23H2,(H,32,35).
What are the key properties of 4-(1H-indol-3-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide?
4-(1H-indol-3-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide has a molecular weight of 466.63 g/mol, XLogP of 5.13, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide is sourced from PubChem (CID 39173364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).