N-(3-ethoxypropyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide

C19H28N4O2 — CID 97362387

IUPACN-(3-ethoxypropyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide
SMILESCCOCCCNC(=O)c1ccc2ccc(N3CCN(C)CC3)n2c1
InChIInChI=1S/C19H28N4O2/c1-3-25-14-4-9-20-19(24)16-5-6-17-7-8-18(23(17)15-16)22-12-10-21(2)11-13-22/h5-8,15H,3-4,9-14H2,1-2H3,(H,20,24)
InChIKeyVAFCMWNSWYQXNC-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.85
Rot. Bonds7

About N-(3-ethoxypropyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide

N-(3-ethoxypropyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide (PubChem CID 97362387) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide
PubChem CID97362387
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-(3-ethoxypropyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide
SMILESCCOCCCNC(=O)c1ccc2ccc(N3CCN(C)CC3)n2c1
InChIInChI=1S/C19H28N4O2/c1-3-25-14-4-9-20-19(24)16-5-6-17-7-8-18(23(17)15-16)22-12-10-21(2)11-13-22/h5-8,15H,3-4,9-14H2,1-2H3,(H,20,24)
InChIKeyVAFCMWNSWYQXNC-UHFFFAOYSA-N
XLogP1.85
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.85
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

3-[4-(dimethylcarbamoyl)piperazin-1-yl]-N-propylindolizine-6-carboxamide
CID 97448044
N-butyl-N-methyl-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide
CID 97362385
N-[2-(dimethylamino)-2-oxoethyl]-3-[4-(2-methoxyethyl)piperazin-1-yl]indolizine-6-carboxamide
CID 97447902
N-(cyclopropylmethyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide
CID 97448060
N-(2,4-difluorophenyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide
CID 97362374
N-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95903042
3-(4-acetylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)indolizine-6-carboxamide
CID 97447978
4-cyano-N-(3-ethoxypropyl)benzamide
CID 24708113
3-(4-propan-2-ylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)indolizine-6-carboxamide
CID 97448096
3-(3-ethoxypropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623940
2-chloro-N-(3-ethoxypropyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969395
3-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide
CID 97447967

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide (CID 97362387) is N-(3-ethoxypropyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide is CCOCCCNC(=O)c1ccc2ccc(N3CCN(C)CC3)n2c1.
What is the InChIKey of N-(3-ethoxypropyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide?
The InChIKey is VAFCMWNSWYQXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-3-25-14-4-9-20-19(24)16-5-6-17-7-8-18(23(17)15-16)22-12-10-21(2)11-13-22/h5-8,15H,3-4,9-14H2,1-2H3,(H,20,24).
What are the key properties of N-(3-ethoxypropyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide?
N-(3-ethoxypropyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide is sourced from PubChem (CID 97362387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).