N-[1-[4-[ethenyl(prop-2-enoyl)amino]benzoyl]piperidin-3-yl]-1H-indole-6-carboxamide

C26H26N4O3 — CID 143028605

IUPACN-[1-[4-[ethenyl(prop-2-enoyl)amino]benzoyl]piperidin-3-yl]-1H-indole-6-carboxamide
SMILESC=CC(=O)N(C=C)c1ccc(C(=O)N2CCCC(NC(=O)c3ccc4cc[nH]c4c3)C2)cc1
InChIInChI=1S/C26H26N4O3/c1-3-24(31)30(4-2)22-11-9-19(10-12-22)26(33)29-15-5-6-21(17-29)28-25(32)20-8-7-18-13-14-27-23(18)16-20/h3-4,7-14,16,21,27H,1-2,5-6,15,17H2,(H,28,32)
InChIKeyCGCGJAXYOXDDKI-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.87
Rot. Bonds6

About N-[1-[4-[ethenyl(prop-2-enoyl)amino]benzoyl]piperidin-3-yl]-1H-indole-6-carboxamide

N-[1-[4-[ethenyl(prop-2-enoyl)amino]benzoyl]piperidin-3-yl]-1H-indole-6-carboxamide (PubChem CID 143028605) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[1-[4-[ethenyl(prop-2-enoyl)amino]benzoyl]piperidin-3-yl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[ethenyl(prop-2-enoyl)amino]benzoyl]piperidin-3-yl]-1H-indole-6-carboxamide
PubChem CID143028605
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC NameN-[1-[4-[ethenyl(prop-2-enoyl)amino]benzoyl]piperidin-3-yl]-1H-indole-6-carboxamide
SMILESC=CC(=O)N(C=C)c1ccc(C(=O)N2CCCC(NC(=O)c3ccc4cc[nH]c4c3)C2)cc1
InChIInChI=1S/C26H26N4O3/c1-3-24(31)30(4-2)22-11-9-19(10-12-22)26(33)29-15-5-6-21(17-29)28-25(32)20-8-7-18-13-14-27-23(18)16-20/h3-4,7-14,16,21,27H,1-2,5-6,15,17H2,(H,28,32)
InChIKeyCGCGJAXYOXDDKI-UHFFFAOYSA-N
XLogP3.87
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-1H-indole-6-carboxamide
CID 39706974
4-fluoro-N-[1-(4-fluorobenzoyl)piperidin-3-yl]benzamide
CID 11450767
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indole-6-carboxamide
CID 31053727
N-(azetidin-3-yl)-1H-indole-6-carboxamide
CID 66186513
N-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 59294620
1H-indol-6-yl-(3-methylsulfonylpiperidin-1-yl)methanone
CID 167956999
1-oxo-N-(1-prop-2-enoylpiperidin-3-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
CID 118597413
N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide
CID 95276174
N-[(3R)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide
CID 95276175
1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 94658936
1H-indol-6-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 56724316
N-(3-ethylcyclohexyl)-1H-indole-6-carboxamide
CID 64743570

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[ethenyl(prop-2-enoyl)amino]benzoyl]piperidin-3-yl]-1H-indole-6-carboxamide?
The IUPAC name of N-[1-[4-[ethenyl(prop-2-enoyl)amino]benzoyl]piperidin-3-yl]-1H-indole-6-carboxamide (CID 143028605) is N-[1-[4-[ethenyl(prop-2-enoyl)amino]benzoyl]piperidin-3-yl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[1-[4-[ethenyl(prop-2-enoyl)amino]benzoyl]piperidin-3-yl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[1-[4-[ethenyl(prop-2-enoyl)amino]benzoyl]piperidin-3-yl]-1H-indole-6-carboxamide is C=CC(=O)N(C=C)c1ccc(C(=O)N2CCCC(NC(=O)c3ccc4cc[nH]c4c3)C2)cc1.
What is the InChIKey of N-[1-[4-[ethenyl(prop-2-enoyl)amino]benzoyl]piperidin-3-yl]-1H-indole-6-carboxamide?
The InChIKey is CGCGJAXYOXDDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-3-24(31)30(4-2)22-11-9-19(10-12-22)26(33)29-15-5-6-21(17-29)28-25(32)20-8-7-18-13-14-27-23(18)16-20/h3-4,7-14,16,21,27H,1-2,5-6,15,17H2,(H,28,32).
What are the key properties of N-[1-[4-[ethenyl(prop-2-enoyl)amino]benzoyl]piperidin-3-yl]-1H-indole-6-carboxamide?
N-[1-[4-[ethenyl(prop-2-enoyl)amino]benzoyl]piperidin-3-yl]-1H-indole-6-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[ethenyl(prop-2-enoyl)amino]benzoyl]piperidin-3-yl]-1H-indole-6-carboxamide is sourced from PubChem (CID 143028605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).