3-[4-[4-(4-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide

C24H29N5O2 — CID 11774457

IUPAC3-[4-[4-(4-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide
SMILESNC(=O)c1ccc(N2CCN(CCCCc3c[nH]c4ccc(C(N)=O)cc34)CC2)cc1
InChIInChI=1S/C24H29N5O2/c25-23(30)17-4-7-20(8-5-17)29-13-11-28(12-14-29)10-2-1-3-19-16-27-22-9-6-18(24(26)31)15-21(19)22/h4-9,15-16,27H,1-3,10-14H2,(H2,25,30)(H2,26,31)
InChIKeyTYPRYKUBSLGLEL-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.51
Rot. Bonds8

About 3-[4-[4-(4-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide

3-[4-[4-(4-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide (PubChem CID 11774457) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 3-[4-[4-(4-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name3-[4-[4-(4-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide
PubChem CID11774457
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name3-[4-[4-(4-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide
SMILESNC(=O)c1ccc(N2CCN(CCCCc3c[nH]c4ccc(C(N)=O)cc34)CC2)cc1
InChIInChI=1S/C24H29N5O2/c25-23(30)17-4-7-20(8-5-17)29-13-11-28(12-14-29)10-2-1-3-19-16-27-22-9-6-18(24(26)31)15-21(19)22/h4-9,15-16,27H,1-3,10-14H2,(H2,25,30)(H2,26,31)
InChIKeyTYPRYKUBSLGLEL-UHFFFAOYSA-N
XLogP2.51
TPSA108.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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FG-7142
CID 4375

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(4-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide?
The IUPAC name of 3-[4-[4-(4-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide (CID 11774457) is 3-[4-[4-(4-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 3-[4-[4-(4-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide?
The canonical SMILES for 3-[4-[4-(4-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide is NC(=O)c1ccc(N2CCN(CCCCc3c[nH]c4ccc(C(N)=O)cc34)CC2)cc1.
What is the InChIKey of 3-[4-[4-(4-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide?
The InChIKey is TYPRYKUBSLGLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c25-23(30)17-4-7-20(8-5-17)29-13-11-28(12-14-29)10-2-1-3-19-16-27-22-9-6-18(24(26)31)15-21(19)22/h4-9,15-16,27H,1-3,10-14H2,(H2,25,30)(H2,26,31).
What are the key properties of 3-[4-[4-(4-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide?
3-[4-[4-(4-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 2.51, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(4-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 11774457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).