N-(1-benzofuran-4-ylmethyl)-4-(3-fluoro-4-pyridinyl)-2-methylpiperazine-1-carboxamide

C20H21FN4O2 — CID 166049434

IUPACN-(1-benzofuran-4-ylmethyl)-4-(3-fluoro-4-pyridinyl)-2-methylpiperazine-1-carboxamide
SMILESCC1CN(c2ccncc2F)CCN1C(=O)NCc1cccc2occc12
InChIInChI=1S/C20H21FN4O2/c1-14-13-24(18-5-7-22-12-17(18)21)8-9-25(14)20(26)23-11-15-3-2-4-19-16(15)6-10-27-19/h2-7,10,12,14H,8-9,11,13H2,1H3,(H,23,26)
InChIKeyKVZZUAPNMLNLNT-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.39
Rot. Bonds3

About N-(1-benzofuran-4-ylmethyl)-4-(3-fluoro-4-pyridinyl)-2-methylpiperazine-1-carboxamide

N-(1-benzofuran-4-ylmethyl)-4-(3-fluoro-4-pyridinyl)-2-methylpiperazine-1-carboxamide (PubChem CID 166049434) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-(1-benzofuran-4-ylmethyl)-4-(3-fluoro-4-pyridinyl)-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzofuran-4-ylmethyl)-4-(3-fluoro-4-pyridinyl)-2-methylpiperazine-1-carboxamide
PubChem CID166049434
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-(1-benzofuran-4-ylmethyl)-4-(3-fluoro-4-pyridinyl)-2-methylpiperazine-1-carboxamide
SMILESCC1CN(c2ccncc2F)CCN1C(=O)NCc1cccc2occc12
InChIInChI=1S/C20H21FN4O2/c1-14-13-24(18-5-7-22-12-17(18)21)8-9-25(14)20(26)23-11-15-3-2-4-19-16(15)6-10-27-19/h2-7,10,12,14H,8-9,11,13H2,1H3,(H,23,26)
InChIKeyKVZZUAPNMLNLNT-UHFFFAOYSA-N
XLogP3.39
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-4-ylmethyl)-4-(3-fluoro-4-pyridinyl)-2-methylpiperazine-1-carboxamide?
The IUPAC name of N-(1-benzofuran-4-ylmethyl)-4-(3-fluoro-4-pyridinyl)-2-methylpiperazine-1-carboxamide (CID 166049434) is N-(1-benzofuran-4-ylmethyl)-4-(3-fluoro-4-pyridinyl)-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(1-benzofuran-4-ylmethyl)-4-(3-fluoro-4-pyridinyl)-2-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(1-benzofuran-4-ylmethyl)-4-(3-fluoro-4-pyridinyl)-2-methylpiperazine-1-carboxamide is CC1CN(c2ccncc2F)CCN1C(=O)NCc1cccc2occc12.
What is the InChIKey of N-(1-benzofuran-4-ylmethyl)-4-(3-fluoro-4-pyridinyl)-2-methylpiperazine-1-carboxamide?
The InChIKey is KVZZUAPNMLNLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-14-13-24(18-5-7-22-12-17(18)21)8-9-25(14)20(26)23-11-15-3-2-4-19-16(15)6-10-27-19/h2-7,10,12,14H,8-9,11,13H2,1H3,(H,23,26).
What are the key properties of N-(1-benzofuran-4-ylmethyl)-4-(3-fluoro-4-pyridinyl)-2-methylpiperazine-1-carboxamide?
N-(1-benzofuran-4-ylmethyl)-4-(3-fluoro-4-pyridinyl)-2-methylpiperazine-1-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-4-ylmethyl)-4-(3-fluoro-4-pyridinyl)-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 166049434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).