N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-3-methylbut-2-enamide

C19H23N3O2 — CID 52901087

IUPACN-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NC1CCN(C(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H23N3O2/c1-13(2)11-18(23)21-14-7-9-22(10-8-14)19(24)16-12-20-17-6-4-3-5-15(16)17/h3-6,11-12,14,20H,7-10H2,1-2H3,(H,21,23)
InChIKeyNCEWULQYNNWRRP-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.85
Rot. Bonds3

About N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-3-methylbut-2-enamide

N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-3-methylbut-2-enamide (PubChem CID 52901087) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-3-methylbut-2-enamide
PubChem CID52901087
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NC1CCN(C(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H23N3O2/c1-13(2)11-18(23)21-14-7-9-22(10-8-14)19(24)16-12-20-17-6-4-3-5-15(16)17/h3-6,11-12,14,20H,7-10H2,1-2H3,(H,21,23)
InChIKeyNCEWULQYNNWRRP-UHFFFAOYSA-N
XLogP2.85
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 52898572
1H-indol-3-yl-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone
CID 53185539
(4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone
CID 65281682
(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 113253973
cyclopentyl-[4-(1H-indole-3-carbonyl)piperazin-1-yl]methanone
CID 110801628
1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
(3,3-dimethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 79036861
cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 49206253
[1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 90511658
3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941047
[9-hydroxy-7-(1H-indole-3-carbonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indol-3-yl)methanone
CID 39378328
1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone
CID 90511875

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-3-methylbut-2-enamide?
The IUPAC name of N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-3-methylbut-2-enamide (CID 52901087) is N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-3-methylbut-2-enamide?
The canonical SMILES for N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-3-methylbut-2-enamide is CC(C)=CC(=O)NC1CCN(C(=O)c2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-3-methylbut-2-enamide?
The InChIKey is NCEWULQYNNWRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13(2)11-18(23)21-14-7-9-22(10-8-14)19(24)16-12-20-17-6-4-3-5-15(16)17/h3-6,11-12,14,20H,7-10H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-3-methylbut-2-enamide?
N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-3-methylbut-2-enamide has a molecular weight of 325.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-3-methylbut-2-enamide is sourced from PubChem (CID 52901087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).