2-indazol-1-yl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide

C18H27N5O — CID 122175815

IUPAC2-indazol-1-yl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
SMILESCC(C(=O)NCCCN1CCN(C)CC1)n1ncc2ccccc21
InChIInChI=1S/C18H27N5O/c1-15(23-17-7-4-3-6-16(17)14-20-23)18(24)19-8-5-9-22-12-10-21(2)11-13-22/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H,19,24)
InChIKeyBGDRWTKJWRYKJQ-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.35
Rot. Bonds6

About 2-indazol-1-yl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide

2-indazol-1-yl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide (PubChem CID 122175815) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-indazol-1-yl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2-indazol-1-yl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
PubChem CID122175815
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name2-indazol-1-yl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
SMILESCC(C(=O)NCCCN1CCN(C)CC1)n1ncc2ccccc21
InChIInChI=1S/C18H27N5O/c1-15(23-17-7-4-3-6-16(17)14-20-23)18(24)19-8-5-9-22-12-10-21(2)11-13-22/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H,19,24)
InChIKeyBGDRWTKJWRYKJQ-UHFFFAOYSA-N
XLogP1.35
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.35
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

2-indazol-1-yl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]propanamide
CID 122175814
(2S)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-naphthalen-2-yloxypropanamide
CID 99972262
2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide
CID 61251743
N-(3-morpholin-4-ylpropyl)indazole-1-carboxamide
CID 175830927
(2R)-N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide
CID 124844866
N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide
CID 91837892
3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide;trihydrochloride
CID 119901081
N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-2-carboxamide
CID 51073449
2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 53044136
(2R)-2-(2-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 94040489
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 29132971
2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 53043961

Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
The IUPAC name of 2-indazol-1-yl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide (CID 122175815) is 2-indazol-1-yl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide.
What is the SMILES notation for 2-indazol-1-yl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
The canonical SMILES for 2-indazol-1-yl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide is CC(C(=O)NCCCN1CCN(C)CC1)n1ncc2ccccc21.
What is the InChIKey of 2-indazol-1-yl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
The InChIKey is BGDRWTKJWRYKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-15(23-17-7-4-3-6-16(17)14-20-23)18(24)19-8-5-9-22-12-10-21(2)11-13-22/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H,19,24).
What are the key properties of 2-indazol-1-yl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
2-indazol-1-yl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide has a molecular weight of 329.45 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 122175815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).