N-[2-(1-benzofuran-2-yl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide

C20H23N5O3 — CID 126785553

IUPACN-[2-(1-benzofuran-2-yl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide
SMILESCOc1cc(N2CCN(C(=O)NCCc3cc4ccccc4o3)CC2)ncn1
InChIInChI=1S/C20H23N5O3/c1-27-19-13-18(22-14-23-19)24-8-10-25(11-9-24)20(26)21-7-6-16-12-15-4-2-3-5-17(15)28-16/h2-5,12-14H,6-11H2,1H3,(H,21,26)
InChIKeyCNXADNWOMHNTJA-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.31
Rot. Bonds5

About N-[2-(1-benzofuran-2-yl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide

N-[2-(1-benzofuran-2-yl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 126785553) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[2-(1-benzofuran-2-yl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-2-yl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID126785553
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[2-(1-benzofuran-2-yl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide
SMILESCOc1cc(N2CCN(C(=O)NCCc3cc4ccccc4o3)CC2)ncn1
InChIInChI=1S/C20H23N5O3/c1-27-19-13-18(22-14-23-19)24-8-10-25(11-9-24)20(26)21-7-6-16-12-15-4-2-3-5-17(15)28-16/h2-5,12-14H,6-11H2,1H3,(H,21,26)
InChIKeyCNXADNWOMHNTJA-UHFFFAOYSA-N
XLogP2.31
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122003126
N-[2-(1-benzofuran-2-yl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 154758945
N-[2-(methoxyamino)-2-oxoethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide
CID 167848306
(3S,4S)-1-[2-(1-benzofuran-2-yl)ethylcarbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122003135
4-(3,5-dimethylphenyl)-N-[2-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide
CID 91601033
N-[2-(2-methoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 33384548
2-[3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1,3-benzoxazole
CID 126788904
N-[2-(1-benzofuran-2-yl)ethyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 127902707
N-[2-(1-benzofuran-2-yl)ethyl]-4-(methylamino)butanamide
CID 119799114
N-[2-(1-benzofuran-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 99809958
2-[2-[[(3S)-3-methoxypyrrolidine-1-carbonyl]amino]ethyl]-1-benzofuran-6-carboxylic acid
CID 167772979
(E)-1-(4-methoxyphenyl)-4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]but-2-ene-1,4-dione
CID 167807871

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-2-yl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(1-benzofuran-2-yl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide (CID 126785553) is N-[2-(1-benzofuran-2-yl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(1-benzofuran-2-yl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(1-benzofuran-2-yl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide is COc1cc(N2CCN(C(=O)NCCc3cc4ccccc4o3)CC2)ncn1.
What is the InChIKey of N-[2-(1-benzofuran-2-yl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is CNXADNWOMHNTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-27-19-13-18(22-14-23-19)24-8-10-25(11-9-24)20(26)21-7-6-16-12-15-4-2-3-5-17(15)28-16/h2-5,12-14H,6-11H2,1H3,(H,21,26).
What are the key properties of N-[2-(1-benzofuran-2-yl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide?
N-[2-(1-benzofuran-2-yl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-2-yl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 126785553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).