N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]piperidine-4-carboxamide

C20H21FN4O2 — CID 156632957

IUPACN-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]piperidine-4-carboxamide
SMILESCc1c(NC(=O)C2CCNCC2)c[nH]c1/C=C1\C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C20H21FN4O2/c1-11-17(9-15-14-8-13(21)2-3-16(14)24-20(15)27)23-10-18(11)25-19(26)12-4-6-22-7-5-12/h2-3,8-10,12,22-23H,4-7H2,1H3,(H,24,27)(H,25,26)/b15-9-
InChIKeyLZCMUWSOPGQWFH-DHDCSXOGSA-N
MW368.41 g/mol
LogP2.89
Rot. Bonds3

About N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]piperidine-4-carboxamide

N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]piperidine-4-carboxamide (PubChem CID 156632957) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]piperidine-4-carboxamide
PubChem CID156632957
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]piperidine-4-carboxamide
SMILESCc1c(NC(=O)C2CCNCC2)c[nH]c1/C=C1\C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C20H21FN4O2/c1-11-17(9-15-14-8-13(21)2-3-16(14)24-20(15)27)23-10-18(11)25-19(26)12-4-6-22-7-5-12/h2-3,8-10,12,22-23H,4-7H2,1H3,(H,24,27)(H,25,26)/b15-9-
InChIKeyLZCMUWSOPGQWFH-DHDCSXOGSA-N
XLogP2.89
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.89
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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Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]piperidine-4-carboxamide (CID 156632957) is N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]piperidine-4-carboxamide is Cc1c(NC(=O)C2CCNCC2)c[nH]c1/C=C1\C(=O)Nc2ccc(F)cc21.
What is the InChIKey of N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]piperidine-4-carboxamide?
The InChIKey is LZCMUWSOPGQWFH-DHDCSXOGSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-11-17(9-15-14-8-13(21)2-3-16(14)24-20(15)27)23-10-18(11)25-19(26)12-4-6-22-7-5-12/h2-3,8-10,12,22-23H,4-7H2,1H3,(H,24,27)(H,25,26)/b15-9-.
What are the key properties of N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]piperidine-4-carboxamide?
N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]piperidine-4-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 2.89, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 156632957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).