N-[2-(1H-imidazol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide

C17H23N5O2 — CID 127587905

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)NCCc2cnc[nH]2)CC1
InChIInChI=1S/C17H23N5O2/c1-24-16-5-3-2-4-15(16)21-8-10-22(11-9-21)17(23)19-7-6-14-12-18-13-20-14/h2-5,12-13H,6-11H2,1H3,(H,18,20)(H,19,23)
InChIKeyPIJFCLZWLCNDNO-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.49
Rot. Bonds5

About N-[2-(1H-imidazol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 127587905) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
PubChem CID127587905
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)NCCc2cnc[nH]2)CC1
InChIInChI=1S/C17H23N5O2/c1-24-16-5-3-2-4-15(16)21-8-10-22(11-9-21)17(23)19-7-6-14-12-18-13-20-14/h2-5,12-13H,6-11H2,1H3,(H,18,20)(H,19,23)
InChIKeyPIJFCLZWLCNDNO-UHFFFAOYSA-N
XLogP1.49
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide (CID 127587905) is N-[2-(1H-imidazol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide is COc1ccccc1N1CCN(C(=O)NCCc2cnc[nH]2)CC1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is PIJFCLZWLCNDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-24-16-5-3-2-4-15(16)21-8-10-22(11-9-21)17(23)19-7-6-14-12-18-13-20-14/h2-5,12-13H,6-11H2,1H3,(H,18,20)(H,19,23).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 127587905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).