2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)-N-phenylacetamide

C28H35N5O2 — CID 175406057

IUPAC2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)-N-phenylacetamide
SMILESCOCC(C)N(C(=O)CN1CCN(CCCc2c[nH]c3ccc(C#N)cc23)CC1)c1ccccc1
InChIInChI=1S/C28H35N5O2/c1-22(21-35-2)33(25-8-4-3-5-9-25)28(34)20-32-15-13-31(14-16-32)12-6-7-24-19-30-27-11-10-23(18-29)17-26(24)27/h3-5,8-11,17,19,22,30H,6-7,12-16,20-21H2,1-2H3
InChIKeyXUVXNPOFIBOQBG-UHFFFAOYSA-N
MW473.62 g/mol
LogP3.66
Rot. Bonds10

About 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)-N-phenylacetamide

2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)-N-phenylacetamide (PubChem CID 175406057) has the molecular formula C28H35N5O2 and a molecular weight of 473.62 g/mol. Its IUPAC name is 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)-N-phenylacetamide
PubChem CID175406057
Molecular FormulaC28H35N5O2
Molecular Weight473.62 g/mol
Exact Mass473.28
IUPAC Name2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)-N-phenylacetamide
SMILESCOCC(C)N(C(=O)CN1CCN(CCCc2c[nH]c3ccc(C#N)cc23)CC1)c1ccccc1
InChIInChI=1S/C28H35N5O2/c1-22(21-35-2)33(25-8-4-3-5-9-25)28(34)20-32-15-13-31(14-16-32)12-6-7-24-19-30-27-11-10-23(18-29)17-26(24)27/h3-5,8-11,17,19,22,30H,6-7,12-16,20-21H2,1-2H3
InChIKeyXUVXNPOFIBOQBG-UHFFFAOYSA-N
XLogP3.66
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-hexan-2-yl-N-phenylacetamide
CID 175405707
2-[4-[3-(5-chloro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylacetamide
CID 175405742
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile;hydrochloride
CID 11464426
3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylpropanamide
CID 175406463
3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 10293352
3-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
CID 58656074
ethyl 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 90646796
3-[4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 90468782
3-[4-[4-(2-chloro-6-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 172554455
3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 19936443
2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidine-4-carboxamide
CID 90646598
3-[4-[4-[4-(1-oxoisoquinolin-2-yl)phenyl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 118190937

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)-N-phenylacetamide?
The IUPAC name of 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)-N-phenylacetamide (CID 175406057) is 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)-N-phenylacetamide.
What is the SMILES notation for 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)-N-phenylacetamide?
The canonical SMILES for 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)-N-phenylacetamide is COCC(C)N(C(=O)CN1CCN(CCCc2c[nH]c3ccc(C#N)cc23)CC1)c1ccccc1.
What is the InChIKey of 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)-N-phenylacetamide?
The InChIKey is XUVXNPOFIBOQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O2/c1-22(21-35-2)33(25-8-4-3-5-9-25)28(34)20-32-15-13-31(14-16-32)12-6-7-24-19-30-27-11-10-23(18-29)17-26(24)27/h3-5,8-11,17,19,22,30H,6-7,12-16,20-21H2,1-2H3.
What are the key properties of 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)-N-phenylacetamide?
2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)-N-phenylacetamide has a molecular weight of 473.62 g/mol, XLogP of 3.66, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)-N-phenylacetamide is sourced from PubChem (CID 175406057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).