4-(1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide

C21H31N5O — CID 58993967

IUPAC4-(1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide
SMILESO=C(NCCCN1CCCCC1)N1CCN(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C21H31N5O/c27-21(22-9-6-12-24-10-4-1-5-11-24)26-15-13-25(14-16-26)20-17-23-19-8-3-2-7-18(19)20/h2-3,7-8,17,23H,1,4-6,9-16H2,(H,22,27)
InChIKeyUIWMSDNLSIHMAT-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.88
Rot. Bonds5

About 4-(1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide

4-(1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide (PubChem CID 58993967) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide
PubChem CID58993967
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name4-(1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide
SMILESO=C(NCCCN1CCCCC1)N1CCN(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C21H31N5O/c27-21(22-9-6-12-24-10-4-1-5-11-24)26-15-13-25(14-16-26)20-17-23-19-8-3-2-7-18(19)20/h2-3,7-8,17,23H,1,4-6,9-16H2,(H,22,27)
InChIKeyUIWMSDNLSIHMAT-UHFFFAOYSA-N
XLogP2.88
TPSA54.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-(1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide (CID 58993967) is 4-(1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide is O=C(NCCCN1CCCCC1)N1CCN(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide?
The InChIKey is UIWMSDNLSIHMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c27-21(22-9-6-12-24-10-4-1-5-11-24)26-15-13-25(14-16-26)20-17-23-19-8-3-2-7-18(19)20/h2-3,7-8,17,23H,1,4-6,9-16H2,(H,22,27).
What are the key properties of 4-(1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide?
4-(1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 58993967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).