N-[3-(4-benzylpiperazin-1-yl)propyl]indolizine-2-carboxamide

C23H28N4O — CID 46388331

IUPACN-[3-(4-benzylpiperazin-1-yl)propyl]indolizine-2-carboxamide
SMILESO=C(NCCCN1CCN(Cc2ccccc2)CC1)c1cc2ccccn2c1
InChIInChI=1S/C23H28N4O/c28-23(21-17-22-9-4-5-12-27(22)19-21)24-10-6-11-25-13-15-26(16-14-25)18-20-7-2-1-3-8-20/h1-5,7-9,12,17,19H,6,10-11,13-16,18H2,(H,24,28)
InChIKeyBDZGEULPRKZQCP-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.88
Rot. Bonds7

About N-[3-(4-benzylpiperazin-1-yl)propyl]indolizine-2-carboxamide

N-[3-(4-benzylpiperazin-1-yl)propyl]indolizine-2-carboxamide (PubChem CID 46388331) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[3-(4-benzylpiperazin-1-yl)propyl]indolizine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperazin-1-yl)propyl]indolizine-2-carboxamide
PubChem CID46388331
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-[3-(4-benzylpiperazin-1-yl)propyl]indolizine-2-carboxamide
SMILESO=C(NCCCN1CCN(Cc2ccccc2)CC1)c1cc2ccccn2c1
InChIInChI=1S/C23H28N4O/c28-23(21-17-22-9-4-5-12-27(22)19-21)24-10-6-11-25-13-15-26(16-14-25)18-20-7-2-1-3-8-20/h1-5,7-9,12,17,19H,6,10-11,13-16,18H2,(H,24,28)
InChIKeyBDZGEULPRKZQCP-UHFFFAOYSA-N
XLogP2.88
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-ethylpiperidin-1-yl)propyl]indolizine-2-carboxamide
CID 46388323
1-[3-(4-benzylpiperazin-1-yl)propyl]-3-(2-hydroxyethyl)urea
CID 110894265
N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 46447531
N-[3-(4-benzylpiperazin-1-yl)propyl]-3-(pyrimidin-2-ylamino)benzamide
CID 46416964
N-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 55852638
N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]indolizine-2-carboxamide
CID 92883104
N-[4-(4-benzylpiperazin-1-yl)butyl]pyridine-2-carboxamide
CID 55932888
1-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide
CID 119901973
N-[3-(4-benzylpiperazin-1-yl)propyl]-1,2,5-thiadiazole-3-carboxamide
CID 87010295
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-nitrobenzamide
CID 55634194
N-[3-(4-benzylpiperazin-1-yl)propyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 46410589
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 55633946

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperazin-1-yl)propyl]indolizine-2-carboxamide?
The IUPAC name of N-[3-(4-benzylpiperazin-1-yl)propyl]indolizine-2-carboxamide (CID 46388331) is N-[3-(4-benzylpiperazin-1-yl)propyl]indolizine-2-carboxamide.
What is the SMILES notation for N-[3-(4-benzylpiperazin-1-yl)propyl]indolizine-2-carboxamide?
The canonical SMILES for N-[3-(4-benzylpiperazin-1-yl)propyl]indolizine-2-carboxamide is O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1cc2ccccn2c1.
What is the InChIKey of N-[3-(4-benzylpiperazin-1-yl)propyl]indolizine-2-carboxamide?
The InChIKey is BDZGEULPRKZQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c28-23(21-17-22-9-4-5-12-27(22)19-21)24-10-6-11-25-13-15-26(16-14-25)18-20-7-2-1-3-8-20/h1-5,7-9,12,17,19H,6,10-11,13-16,18H2,(H,24,28).
What are the key properties of N-[3-(4-benzylpiperazin-1-yl)propyl]indolizine-2-carboxamide?
N-[3-(4-benzylpiperazin-1-yl)propyl]indolizine-2-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperazin-1-yl)propyl]indolizine-2-carboxamide is sourced from PubChem (CID 46388331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).