N-(3-pyrrolidin-1-ylpropyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide

C24H31N5O — CID 22522852

IUPACN-(3-pyrrolidin-1-ylpropyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
SMILESO=C(NCCCN1CCCC1)C1CCN(c2nc3ccccc3n3cccc23)CC1
InChIInChI=1S/C24H31N5O/c30-24(25-12-6-15-27-13-3-4-14-27)19-10-17-28(18-11-19)23-22-9-5-16-29(22)21-8-2-1-7-20(21)26-23/h1-2,5,7-9,16,19H,3-4,6,10-15,17-18H2,(H,25,30)
InChIKeyPOHIRSOCMHBNSM-UHFFFAOYSA-N
MW405.55 g/mol
LogP3.31
Rot. Bonds6

About N-(3-pyrrolidin-1-ylpropyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide

N-(3-pyrrolidin-1-ylpropyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide (PubChem CID 22522852) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylpropyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylpropyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
PubChem CID22522852
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC NameN-(3-pyrrolidin-1-ylpropyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
SMILESO=C(NCCCN1CCCC1)C1CCN(c2nc3ccccc3n3cccc23)CC1
InChIInChI=1S/C24H31N5O/c30-24(25-12-6-15-27-13-3-4-14-27)19-10-17-28(18-11-19)23-22-9-5-16-29(22)21-8-2-1-7-20(21)26-23/h1-2,5,7-9,16,19H,3-4,6,10-15,17-18H2,(H,25,30)
InChIKeyPOHIRSOCMHBNSM-UHFFFAOYSA-N
XLogP3.31
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methylpiperazin-1-yl)propyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522846
N-[2-(azepan-1-yl)ethyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522853
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522822
N-(2-methoxyethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 126458585
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 53062473
N-cyclopropyl-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522818
N-[3-(azepan-1-yl)propyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 46328210
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522803
1-(1H-benzimidazol-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 46358989
1-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 22522868
1-(4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 46396734
1-(1-methylbenzimidazol-2-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 16675580

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylpropyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-(3-pyrrolidin-1-ylpropyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide (CID 22522852) is N-(3-pyrrolidin-1-ylpropyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-pyrrolidin-1-ylpropyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-pyrrolidin-1-ylpropyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide is O=C(NCCCN1CCCC1)C1CCN(c2nc3ccccc3n3cccc23)CC1.
What is the InChIKey of N-(3-pyrrolidin-1-ylpropyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide?
The InChIKey is POHIRSOCMHBNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c30-24(25-12-6-15-27-13-3-4-14-27)19-10-17-28(18-11-19)23-22-9-5-16-29(22)21-8-2-1-7-20(21)26-23/h1-2,5,7-9,16,19H,3-4,6,10-15,17-18H2,(H,25,30).
What are the key properties of N-(3-pyrrolidin-1-ylpropyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide?
N-(3-pyrrolidin-1-ylpropyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide has a molecular weight of 405.55 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylpropyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 22522852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).