N-(1H-indazol-5-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide

C20H23N5O2 — CID 72879757

IUPACN-(1H-indazol-5-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C20H23N5O2/c26-20(22-17-6-7-19-16(14-17)15-21-23-19)25-10-8-24(9-11-25)12-13-27-18-4-2-1-3-5-18/h1-7,14-15H,8-13H2,(H,21,23)(H,22,26)
InChIKeyATQABWIDDSQXRA-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.79
Rot. Bonds5

About N-(1H-indazol-5-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide

N-(1H-indazol-5-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide (PubChem CID 72879757) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
PubChem CID72879757
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-(1H-indazol-5-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C20H23N5O2/c26-20(22-17-6-7-19-16(14-17)15-21-23-19)25-10-8-24(9-11-25)12-13-27-18-4-2-1-3-5-18/h1-7,14-15H,8-13H2,(H,21,23)(H,22,26)
InChIKeyATQABWIDDSQXRA-UHFFFAOYSA-N
XLogP2.79
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-phenoxyethyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56583904
4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide
CID 87011077
4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide
CID 110638151
N-[8-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazol-5-amine
CID 18447422
N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 47050346
N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72843451
N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-4-methylpiperazine-1-carboxamide
CID 11950701
N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-5-amine
CID 14467953
anisole;N-(1H-indazol-5-yl)-2-(methylamino)acetamide
CID 142520969
N-(3-chlorophenyl)-4-[2-(4-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 110409809
2-hydroxyethyl N-(1H-indazol-5-yl)carbamate
CID 79346712
N-(4-cyanophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 38159589

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide?
The IUPAC name of N-(1H-indazol-5-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide (CID 72879757) is N-(1H-indazol-5-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(1H-indazol-5-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide is O=C(Nc1ccc2[nH]ncc2c1)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of N-(1H-indazol-5-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide?
The InChIKey is ATQABWIDDSQXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c26-20(22-17-6-7-19-16(14-17)15-21-23-19)25-10-8-24(9-11-25)12-13-27-18-4-2-1-3-5-18/h1-7,14-15H,8-13H2,(H,21,23)(H,22,26).
What are the key properties of N-(1H-indazol-5-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide?
N-(1H-indazol-5-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 72879757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).