N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

C22H37N5O — CID 5307342

IUPACN-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCC2)NCCCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C22H37N5O/c28-22(18-27-17-19-7-4-5-10-21(19)24-27)23-11-6-12-25-13-15-26(16-14-25)20-8-2-1-3-9-20/h17,20H,1-16,18H2,(H,23,28)
InChIKeyPVKZNJHCJGZFLF-UHFFFAOYSA-N
MW387.57 g/mol
LogP2.22
Rot. Bonds7

About N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 5307342) has the molecular formula C22H37N5O and a molecular weight of 387.57 g/mol. Its IUPAC name is N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID5307342
Molecular FormulaC22H37N5O
Molecular Weight387.57 g/mol
Exact Mass387.30
IUPAC NameN-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCC2)NCCCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C22H37N5O/c28-22(18-27-17-19-7-4-5-10-21(19)24-27)23-11-6-12-25-13-15-26(16-14-25)20-8-2-1-3-9-20/h17,20H,1-16,18H2,(H,23,28)
InChIKeyPVKZNJHCJGZFLF-UHFFFAOYSA-N
XLogP2.22
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 52.22
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 5307342) is N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is O=C(Cn1cc2c(n1)CCCC2)NCCCN1CCN(C2CCCCC2)CC1.
What is the InChIKey of N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is PVKZNJHCJGZFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5O/c28-22(18-27-17-19-7-4-5-10-21(19)24-27)23-11-6-12-25-13-15-26(16-14-25)20-8-2-1-3-9-20/h17,20H,1-16,18H2,(H,23,28).
What are the key properties of N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 387.57 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 5307342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).