4-(2-ethoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide

C19H25N5O2 — CID 119071790

IUPAC4-(2-ethoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)NCc2cnc(C)cn2)CC1
InChIInChI=1S/C19H25N5O2/c1-3-26-18-7-5-4-6-17(18)23-8-10-24(11-9-23)19(25)22-14-16-13-20-15(2)12-21-16/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,22,25)
InChIKeyVSGKQSXQTARSHA-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.22
Rot. Bonds5

About 4-(2-ethoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide

4-(2-ethoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide (PubChem CID 119071790) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide
PubChem CID119071790
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name4-(2-ethoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)NCc2cnc(C)cn2)CC1
InChIInChI=1S/C19H25N5O2/c1-3-26-18-7-5-4-6-17(18)23-8-10-24(11-9-23)19(25)22-14-16-13-20-15(2)12-21-16/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,22,25)
InChIKeyVSGKQSXQTARSHA-UHFFFAOYSA-N
XLogP2.22
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 39722655
N-[(6-chloro-3-pyridinyl)methyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 60543780
4-(2-ethoxyphenyl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide
CID 60569814
4-(2-ethoxyphenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
CID 30691880
4-(2-ethoxyphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide
CID 154737898
4-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105584
4-(2-ethoxyphenyl)-N-(1-ethyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide
CID 46990586
4-(2-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112383
4-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 134056810
4-(2-ethoxyphenyl)-N-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide
CID 60542874
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide
CID 4182971
4-(4-chlorobenzoyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide
CID 166279953

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-ethoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide (CID 119071790) is 4-(2-ethoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-ethoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-ethoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide is CCOc1ccccc1N1CCN(C(=O)NCc2cnc(C)cn2)CC1.
What is the InChIKey of 4-(2-ethoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide?
The InChIKey is VSGKQSXQTARSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-3-26-18-7-5-4-6-17(18)23-8-10-24(11-9-23)19(25)22-14-16-13-20-15(2)12-21-16/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,22,25).
What are the key properties of 4-(2-ethoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide?
4-(2-ethoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 119071790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).