3-[4-[5-(piperidin-4-ylcarbamoyl)indol-1-yl]butyl]-1H-indole-5-carboxamide

C27H31N5O2 — CID 22364702

IUPAC3-[4-[5-(piperidin-4-ylcarbamoyl)indol-1-yl]butyl]-1H-indole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]cc(CCCCn3ccc4cc(C(=O)NC5CCNCC5)ccc43)c2c1
InChIInChI=1S/C27H31N5O2/c28-26(33)19-4-6-24-23(16-19)21(17-30-24)3-1-2-13-32-14-10-18-15-20(5-7-25(18)32)27(34)31-22-8-11-29-12-9-22/h4-7,10,14-17,22,29-30H,1-3,8-9,11-13H2,(H2,28,33)(H,31,34)
InChIKeyGXTDUVZCUCHVSG-UHFFFAOYSA-N
MW457.58 g/mol
LogP3.73
Rot. Bonds8

About 3-[4-[5-(piperidin-4-ylcarbamoyl)indol-1-yl]butyl]-1H-indole-5-carboxamide

3-[4-[5-(piperidin-4-ylcarbamoyl)indol-1-yl]butyl]-1H-indole-5-carboxamide (PubChem CID 22364702) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 3-[4-[5-(piperidin-4-ylcarbamoyl)indol-1-yl]butyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name3-[4-[5-(piperidin-4-ylcarbamoyl)indol-1-yl]butyl]-1H-indole-5-carboxamide
PubChem CID22364702
Molecular FormulaC27H31N5O2
Molecular Weight457.58 g/mol
Exact Mass457.25
IUPAC Name3-[4-[5-(piperidin-4-ylcarbamoyl)indol-1-yl]butyl]-1H-indole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]cc(CCCCn3ccc4cc(C(=O)NC5CCNCC5)ccc43)c2c1
InChIInChI=1S/C27H31N5O2/c28-26(33)19-4-6-24-23(16-19)21(17-30-24)3-1-2-13-32-14-10-18-15-20(5-7-25(18)32)27(34)31-22-8-11-29-12-9-22/h4-7,10,14-17,22,29-30H,1-3,8-9,11-13H2,(H2,28,33)(H,31,34)
InChIKeyGXTDUVZCUCHVSG-UHFFFAOYSA-N
XLogP3.73
TPSA104.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[4-(1H-indole-5-carbonylamino)piperidin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 67713635
3-[3-(5-methoxy-4-piperidin-1-ylindol-1-yl)propyl]-1H-indole-5-carboxamide
CID 67713147
3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid
CID 83947210
1-[4-(5-carboxy-1H-indol-3-yl)butyl]-4-piperidin-1-ylindole-5-carboxylic acid
CID 67713632
3-N-[(3R)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide
CID 79688346
3-N-[(3S)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide
CID 79689469
3-chloro-N-piperidin-4-yl-1H-indole-6-carboxamide
CID 18453185
3-[4-[4-(5-carbamoyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole-5-carboxamide
CID 21469442
N-pyrrolidin-3-yl-1H-indole-5-carboxamide
CID 63747913
4-(1H-indol-3-yl)-N-[(3R)-pyrrolidin-3-yl]butanamide
CID 79688237
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-indol-1-ylpropanamide
CID 71709006
3-[4-(9-hydroxy-1,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydroindeno[2,1-c]pyridin-2-yl)butyl]-1H-indole-5-carboxylic acid
CID 57109142

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(piperidin-4-ylcarbamoyl)indol-1-yl]butyl]-1H-indole-5-carboxamide?
The IUPAC name of 3-[4-[5-(piperidin-4-ylcarbamoyl)indol-1-yl]butyl]-1H-indole-5-carboxamide (CID 22364702) is 3-[4-[5-(piperidin-4-ylcarbamoyl)indol-1-yl]butyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 3-[4-[5-(piperidin-4-ylcarbamoyl)indol-1-yl]butyl]-1H-indole-5-carboxamide?
The canonical SMILES for 3-[4-[5-(piperidin-4-ylcarbamoyl)indol-1-yl]butyl]-1H-indole-5-carboxamide is NC(=O)c1ccc2[nH]cc(CCCCn3ccc4cc(C(=O)NC5CCNCC5)ccc43)c2c1.
What is the InChIKey of 3-[4-[5-(piperidin-4-ylcarbamoyl)indol-1-yl]butyl]-1H-indole-5-carboxamide?
The InChIKey is GXTDUVZCUCHVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2/c28-26(33)19-4-6-24-23(16-19)21(17-30-24)3-1-2-13-32-14-10-18-15-20(5-7-25(18)32)27(34)31-22-8-11-29-12-9-22/h4-7,10,14-17,22,29-30H,1-3,8-9,11-13H2,(H2,28,33)(H,31,34).
What are the key properties of 3-[4-[5-(piperidin-4-ylcarbamoyl)indol-1-yl]butyl]-1H-indole-5-carboxamide?
3-[4-[5-(piperidin-4-ylcarbamoyl)indol-1-yl]butyl]-1H-indole-5-carboxamide has a molecular weight of 457.58 g/mol, XLogP of 3.73, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(piperidin-4-ylcarbamoyl)indol-1-yl]butyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 22364702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).