N-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]-3-piperidin-3-ylpropanamide

C21H24N4O2 — CID 57007564

IUPACN-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]-3-piperidin-3-ylpropanamide
SMILESO=C(CCC1CCCNC1)Nc1ccc2c(c1)C(=Cc1ccc[nH]1)C(=O)N2
InChIInChI=1S/C21H24N4O2/c26-20(8-5-14-3-1-9-22-13-14)24-16-6-7-19-17(12-16)18(21(27)25-19)11-15-4-2-10-23-15/h2,4,6-7,10-12,14,22-23H,1,3,5,8-9,13H2,(H,24,26)(H,25,27)
InChIKeyFYQKWDMOSNLYGQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.23
Rot. Bonds5

About N-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]-3-piperidin-3-ylpropanamide

N-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]-3-piperidin-3-ylpropanamide (PubChem CID 57007564) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]-3-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]-3-piperidin-3-ylpropanamide
PubChem CID57007564
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]-3-piperidin-3-ylpropanamide
SMILESO=C(CCC1CCCNC1)Nc1ccc2c(c1)C(=Cc1ccc[nH]1)C(=O)N2
InChIInChI=1S/C21H24N4O2/c26-20(8-5-14-3-1-9-22-13-14)24-16-6-7-19-17(12-16)18(21(27)25-19)11-15-4-2-10-23-15/h2,4,6-7,10-12,14,22-23H,1,3,5,8-9,13H2,(H,24,26)(H,25,27)
InChIKeyFYQKWDMOSNLYGQ-UHFFFAOYSA-N
XLogP3.23
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dicyanophenyl)-3-piperidin-3-ylpropanamide
CID 107790601
[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]urea
CID 141140540
2-fluoro-4-(3-piperidin-3-ylpropanoylamino)benzoic acid
CID 107795108
5-[(4-fluorophenyl)methylamino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
CID 175592071
N-(2-methyl-4-pyridinyl)-3-piperidin-3-ylpropanamide
CID 79241024
3-cyclohexyl-N-(6-oxo-5H-benzo[b][1,4]benzothiazepin-8-yl)propanamide
CID 118373527
3-cyclopentyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 18570800
N-[(3E)-3-(naphthalen-2-ylmethylidene)-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide
CID 162657880
N-[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide
CID 146036435
N-(3-aminophenyl)-3-pyrrolidin-3-ylpropanamide
CID 69171945
3-cyclopentyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)propanamide
CID 62632415
2-piperidin-3-yl-N-(1H-pyrrol-2-yl)acetamide
CID 115160560

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]-3-piperidin-3-ylpropanamide?
The IUPAC name of N-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]-3-piperidin-3-ylpropanamide (CID 57007564) is N-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]-3-piperidin-3-ylpropanamide.
What is the SMILES notation for N-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]-3-piperidin-3-ylpropanamide?
The canonical SMILES for N-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]-3-piperidin-3-ylpropanamide is O=C(CCC1CCCNC1)Nc1ccc2c(c1)C(=Cc1ccc[nH]1)C(=O)N2.
What is the InChIKey of N-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]-3-piperidin-3-ylpropanamide?
The InChIKey is FYQKWDMOSNLYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-20(8-5-14-3-1-9-22-13-14)24-16-6-7-19-17(12-16)18(21(27)25-19)11-15-4-2-10-23-15/h2,4,6-7,10-12,14,22-23H,1,3,5,8-9,13H2,(H,24,26)(H,25,27).
What are the key properties of N-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]-3-piperidin-3-ylpropanamide?
N-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]-3-piperidin-3-ylpropanamide has a molecular weight of 364.45 g/mol, XLogP of 3.23, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]-3-piperidin-3-ylpropanamide is sourced from PubChem (CID 57007564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).