1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide

C27H35N5O2 — CID 59727804

IUPAC1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1ccc(N2CCNCC2)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C27H35N5O2/c1-34-26-5-4-24(31-16-10-29-11-17-31)18-21(26)6-12-30-13-8-23(9-14-30)32-15-7-20-2-3-22(27(28)33)19-25(20)32/h2-5,7,15,18-19,23,29H,6,8-14,16-17H2,1H3,(H2,28,33)
InChIKeyGVIKFIOAVPSHIM-UHFFFAOYSA-N
MW461.61 g/mol
LogP3.04
Rot. Bonds7

About 1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide

1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide (PubChem CID 59727804) has the molecular formula C27H35N5O2 and a molecular weight of 461.61 g/mol. Its IUPAC name is 1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide.

Molecular Properties

Compound Name1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
PubChem CID59727804
Molecular FormulaC27H35N5O2
Molecular Weight461.61 g/mol
Exact Mass461.28
IUPAC Name1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1ccc(N2CCNCC2)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C27H35N5O2/c1-34-26-5-4-24(31-16-10-29-11-17-31)18-21(26)6-12-30-13-8-23(9-14-30)32-15-7-20-2-3-22(27(28)33)19-25(20)32/h2-5,7,15,18-19,23,29H,6,8-14,16-17H2,1H3,(H2,28,33)
InChIKeyGVIKFIOAVPSHIM-UHFFFAOYSA-N
XLogP3.04
TPSA75.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
The IUPAC name of 1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide (CID 59727804) is 1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide.
What is the SMILES notation for 1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
The canonical SMILES for 1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide is COc1ccc(N2CCNCC2)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.
What is the InChIKey of 1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
The InChIKey is GVIKFIOAVPSHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O2/c1-34-26-5-4-24(31-16-10-29-11-17-31)18-21(26)6-12-30-13-8-23(9-14-30)32-15-7-20-2-3-22(27(28)33)19-25(20)32/h2-5,7,15,18-19,23,29H,6,8-14,16-17H2,1H3,(H2,28,33).
What are the key properties of 1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide has a molecular weight of 461.61 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide is sourced from PubChem (CID 59727804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).