N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]indol-5-yl]cyclobutanecarboxamide

C28H34N4O2 — CID 83287207

IUPACN-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]indol-5-yl]cyclobutanecarboxamide
SMILESCCN1CCN(C(=O)c2cc3cc(NC(=O)C4CCC4)ccc3n2Cc2cccc(C)c2)CC1
InChIInChI=1S/C28H34N4O2/c1-3-30-12-14-31(15-13-30)28(34)26-18-23-17-24(29-27(33)22-8-5-9-22)10-11-25(23)32(26)19-21-7-4-6-20(2)16-21/h4,6-7,10-11,16-18,22H,3,5,8-9,12-15,19H2,1-2H3,(H,29,33)
InChIKeyKPJRPJMWKXDUCQ-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.51
Rot. Bonds6

About N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]indol-5-yl]cyclobutanecarboxamide

N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]indol-5-yl]cyclobutanecarboxamide (PubChem CID 83287207) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]indol-5-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]indol-5-yl]cyclobutanecarboxamide
PubChem CID83287207
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC NameN-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]indol-5-yl]cyclobutanecarboxamide
SMILESCCN1CCN(C(=O)c2cc3cc(NC(=O)C4CCC4)ccc3n2Cc2cccc(C)c2)CC1
InChIInChI=1S/C28H34N4O2/c1-3-30-12-14-31(15-13-30)28(34)26-18-23-17-24(29-27(33)22-8-5-9-22)10-11-25(23)32(26)19-21-7-4-6-20(2)16-21/h4,6-7,10-11,16-18,22H,3,5,8-9,12-15,19H2,1-2H3,(H,29,33)
InChIKeyKPJRPJMWKXDUCQ-UHFFFAOYSA-N
XLogP4.51
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]cyclopropanecarboxamide
CID 91635115
4-tert-butyl-N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]indol-5-yl]benzenesulfonamide
CID 83278214
2-chloro-N-[1-[(3-methylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide
CID 42808853
N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-fluorophenyl)methyl]indol-5-yl]propanamide
CID 83282151
N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]acetamide
CID 91635112
[2-methyl-1-[(3-methylphenyl)methyl]indol-5-yl]-piperidin-1-ylmethanone
CID 129319399
N-benzyl-1-butyl-5-(cyclobutanecarbonylamino)indole-2-carboxamide
CID 91635045
[5-amino-1-[(2,5-dimethylphenyl)methyl]indol-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42808876
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 100533092
[2-methyl-4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 46039491
N-(3,5-dimethylphenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919218
N-[1-benzyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]-4-tert-butylbenzenesulfonamide
CID 42808775

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]indol-5-yl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]indol-5-yl]cyclobutanecarboxamide (CID 83287207) is N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]indol-5-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]indol-5-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]indol-5-yl]cyclobutanecarboxamide is CCN1CCN(C(=O)c2cc3cc(NC(=O)C4CCC4)ccc3n2Cc2cccc(C)c2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]indol-5-yl]cyclobutanecarboxamide?
The InChIKey is KPJRPJMWKXDUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-3-30-12-14-31(15-13-30)28(34)26-18-23-17-24(29-27(33)22-8-5-9-22)10-11-25(23)32(26)19-21-7-4-6-20(2)16-21/h4,6-7,10-11,16-18,22H,3,5,8-9,12-15,19H2,1-2H3,(H,29,33).
What are the key properties of N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]indol-5-yl]cyclobutanecarboxamide?
N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]indol-5-yl]cyclobutanecarboxamide has a molecular weight of 458.61 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]indol-5-yl]cyclobutanecarboxamide is sourced from PubChem (CID 83287207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).