1-[2-(3-bromo-2-methylindol-1-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide

C20H24BrN3O2 — CID 49403554

IUPAC1-[2-(3-bromo-2-methylindol-1-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide
SMILESCc1c(Br)c2ccccc2n1CC(=O)N1CCCC(C(=O)NC2CC2)C1
InChIInChI=1S/C20H24BrN3O2/c1-13-19(21)16-6-2-3-7-17(16)24(13)12-18(25)23-10-4-5-14(11-23)20(26)22-15-8-9-15/h2-3,6-7,14-15H,4-5,8-12H2,1H3,(H,22,26)
InChIKeyNNIDPFCLYRFRRS-UHFFFAOYSA-N
MW418.34 g/mol
LogP3.23
Rot. Bonds4

About 1-[2-(3-bromo-2-methylindol-1-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide

1-[2-(3-bromo-2-methylindol-1-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide (PubChem CID 49403554) has the molecular formula C20H24BrN3O2 and a molecular weight of 418.34 g/mol. Its IUPAC name is 1-[2-(3-bromo-2-methylindol-1-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-bromo-2-methylindol-1-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide
PubChem CID49403554
Molecular FormulaC20H24BrN3O2
Molecular Weight418.34 g/mol
Exact Mass417.11
IUPAC Name1-[2-(3-bromo-2-methylindol-1-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide
SMILESCc1c(Br)c2ccccc2n1CC(=O)N1CCCC(C(=O)NC2CC2)C1
InChIInChI=1S/C20H24BrN3O2/c1-13-19(21)16-6-2-3-7-17(16)24(13)12-18(25)23-10-4-5-14(11-23)20(26)22-15-8-9-15/h2-3,6-7,14-15H,4-5,8-12H2,1H3,(H,22,26)
InChIKeyNNIDPFCLYRFRRS-UHFFFAOYSA-N
XLogP3.23
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-2-methylindol-1-yl)-1-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]ethanone
CID 55858792
2-(3-bromo-2-methylindol-1-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 55853850
1-[2-(9-oxoacridin-10-yl)acetyl]-N-phenylpiperidine-3-carboxamide
CID 134051532
2-[4-[2-(3-bromo-2-methylindol-1-yl)acetyl]morpholin-2-yl]acetic acid
CID 119248693
10-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]acridin-9-one
CID 119489974
N-cyclopropyl-1-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]piperidine-3-carboxamide
CID 49352294
2-carbazol-9-yl-1-pyrrolidin-1-ylethanone
CID 67925935
1-[4-[2-(3-bromo-2-methylindol-1-yl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 52660719
2-(3-acetyl-2-methylindol-1-yl)-1-piperidin-1-ylethanone
CID 3159855
N-[1-[2-(3-bromo-2-methylindol-1-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 60520173
1-[4-(4-bromophenyl)-4-oxobutanoyl]-N-cyclopropylpiperidine-3-carboxamide
CID 49403974
(3R)-N-(1-benzoylpiperidin-4-yl)-1-propanoylpiperidine-3-carboxamide
CID 52523476

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-2-methylindol-1-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-bromo-2-methylindol-1-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide (CID 49403554) is 1-[2-(3-bromo-2-methylindol-1-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-bromo-2-methylindol-1-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-bromo-2-methylindol-1-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide is Cc1c(Br)c2ccccc2n1CC(=O)N1CCCC(C(=O)NC2CC2)C1.
What is the InChIKey of 1-[2-(3-bromo-2-methylindol-1-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide?
The InChIKey is NNIDPFCLYRFRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O2/c1-13-19(21)16-6-2-3-7-17(16)24(13)12-18(25)23-10-4-5-14(11-23)20(26)22-15-8-9-15/h2-3,6-7,14-15H,4-5,8-12H2,1H3,(H,22,26).
What are the key properties of 1-[2-(3-bromo-2-methylindol-1-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide?
1-[2-(3-bromo-2-methylindol-1-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide has a molecular weight of 418.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-2-methylindol-1-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide is sourced from PubChem (CID 49403554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).