N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]cyclopropanecarboxamide

C30H38N4O2 — CID 91635115

IUPACN-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]cyclopropanecarboxamide
SMILESCCN1CCN(C(=O)c2cc3cc(NC(=O)C4CC4)ccc3n2Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C30H38N4O2/c1-5-32-14-16-33(17-15-32)29(36)27-19-23-18-25(31-28(35)22-8-9-22)12-13-26(23)34(27)20-21-6-10-24(11-7-21)30(2,3)4/h6-7,10-13,18-19,22H,5,8-9,14-17,20H2,1-4H3,(H,31,35)
InChIKeyFHQQODIBSLWQCS-UHFFFAOYSA-N
MW486.66 g/mol
LogP5.11
Rot. Bonds6

About N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]cyclopropanecarboxamide

N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]cyclopropanecarboxamide (PubChem CID 91635115) has the molecular formula C30H38N4O2 and a molecular weight of 486.66 g/mol. Its IUPAC name is N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]cyclopropanecarboxamide
PubChem CID91635115
Molecular FormulaC30H38N4O2
Molecular Weight486.66 g/mol
Exact Mass486.30
IUPAC NameN-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]cyclopropanecarboxamide
SMILESCCN1CCN(C(=O)c2cc3cc(NC(=O)C4CC4)ccc3n2Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C30H38N4O2/c1-5-32-14-16-33(17-15-32)29(36)27-19-23-18-25(31-28(35)22-8-9-22)12-13-26(23)34(27)20-21-6-10-24(11-7-21)30(2,3)4/h6-7,10-13,18-19,22H,5,8-9,14-17,20H2,1-4H3,(H,31,35)
InChIKeyFHQQODIBSLWQCS-UHFFFAOYSA-N
XLogP5.11
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]cyclopropanecarboxamide (CID 91635115) is N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]cyclopropanecarboxamide is CCN1CCN(C(=O)c2cc3cc(NC(=O)C4CC4)ccc3n2Cc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]cyclopropanecarboxamide?
The InChIKey is FHQQODIBSLWQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O2/c1-5-32-14-16-33(17-15-32)29(36)27-19-23-18-25(31-28(35)22-8-9-22)12-13-26(23)34(27)20-21-6-10-24(11-7-21)30(2,3)4/h6-7,10-13,18-19,22H,5,8-9,14-17,20H2,1-4H3,(H,31,35).
What are the key properties of N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]cyclopropanecarboxamide?
N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]cyclopropanecarboxamide has a molecular weight of 486.66 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 91635115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).