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

C23H27ClN4O2 — CID 73437729

IUPAC5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C23H27ClN4O2/c1-30-22-6-3-2-5-21(22)28-13-11-27(12-14-28)10-4-9-25-23(29)20-16-17-15-18(24)7-8-19(17)26-20/h2-3,5-8,15-16,26H,4,9-14H2,1H3,(H,25,29)
InChIKeyUYEZXWNQNFQUCD-UHFFFAOYSA-N
MW426.95 g/mol
LogP3.77
Rot. Bonds7

About 5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide

5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide (PubChem CID 73437729) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide
PubChem CID73437729
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C23H27ClN4O2/c1-30-22-6-3-2-5-21(22)28-13-11-27(12-14-28)10-4-9-25-23(29)20-16-17-15-18(24)7-8-19(17)26-20/h2-3,5-8,15-16,26H,4,9-14H2,1H3,(H,25,29)
InChIKeyUYEZXWNQNFQUCD-UHFFFAOYSA-N
XLogP3.77
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide (CID 73437729) is 5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide is COc1ccccc1N1CCN(CCCNC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.
What is the InChIKey of 5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide?
The InChIKey is UYEZXWNQNFQUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c1-30-22-6-3-2-5-21(22)28-13-11-27(12-14-28)10-4-9-25-23(29)20-16-17-15-18(24)7-8-19(17)26-20/h2-3,5-8,15-16,26H,4,9-14H2,1H3,(H,25,29).
What are the key properties of 5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide?
5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide has a molecular weight of 426.95 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 73437729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).