N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide

C24H30N4O2 — CID 174673242

IUPACN-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
SMILESCOc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1
InChIInChI=1S/C24H30N4O2/c1-30-21-9-6-8-20(18-21)28-15-13-27(14-16-28)12-5-4-11-25-24(29)23-17-19-7-2-3-10-22(19)26-23/h2-3,6-10,17-18,26H,4-5,11-16H2,1H3,(H,25,29)
InChIKeyMVUUQLWJUQOKGK-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.51
Rot. Bonds8

About N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide

N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide (PubChem CID 174673242) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
PubChem CID174673242
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
SMILESCOc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1
InChIInChI=1S/C24H30N4O2/c1-30-21-9-6-8-20(18-21)28-15-13-27(14-16-28)12-5-4-11-25-24(29)23-17-19-7-2-3-10-22(19)26-23/h2-3,6-10,17-18,26H,4-5,11-16H2,1H3,(H,25,29)
InChIKeyMVUUQLWJUQOKGK-UHFFFAOYSA-N
XLogP3.51
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide 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

N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide
CID 39990796
N-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-2-carboxamide
CID 11270403
N-[5-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-indole-2-carboxamide
CID 165112161
2-(3-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 38448767
N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 44589131
N-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 118710466
methyl 6-(1H-indole-2-carbonylamino)hexanoate
CID 43407298
N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2219273
3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide
CID 110441580
N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide
CID 115599717
5-methoxy-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2742916
1-(6-chlorohexyl)-4-(3-methoxyphenyl)piperazine
CID 62229677

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide (CID 174673242) is N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide is COc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1.
What is the InChIKey of N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
The InChIKey is MVUUQLWJUQOKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-30-21-9-6-8-20(18-21)28-15-13-27(14-16-28)12-5-4-11-25-24(29)23-17-19-7-2-3-10-22(19)26-23/h2-3,6-10,17-18,26H,4-5,11-16H2,1H3,(H,25,29).
What are the key properties of N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 174673242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).