N-[(4-fluorophenyl)methyl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide

C26H28FN5O3 — CID 42783239

IUPACN-[(4-fluorophenyl)methyl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)CCN(Cc3ccc(F)cc3)C(=O)c3cnccn3)CC2)cc1
InChIInChI=1S/C26H28FN5O3/c1-35-23-8-6-22(7-9-23)30-14-16-31(17-15-30)25(33)10-13-32(19-20-2-4-21(27)5-3-20)26(34)24-18-28-11-12-29-24/h2-9,11-12,18H,10,13-17,19H2,1H3
InChIKeyVGJJUDQHHALWOT-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.01
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide

N-[(4-fluorophenyl)methyl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide (PubChem CID 42783239) has the molecular formula C26H28FN5O3 and a molecular weight of 477.54 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide
PubChem CID42783239
Molecular FormulaC26H28FN5O3
Molecular Weight477.54 g/mol
Exact Mass477.22
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)CCN(Cc3ccc(F)cc3)C(=O)c3cnccn3)CC2)cc1
InChIInChI=1S/C26H28FN5O3/c1-35-23-8-6-22(7-9-23)30-14-16-31(17-15-30)25(33)10-13-32(19-20-2-4-21(27)5-3-20)26(34)24-18-28-11-12-29-24/h2-9,11-12,18H,10,13-17,19H2,1H3
InChIKeyVGJJUDQHHALWOT-UHFFFAOYSA-N
XLogP3.01
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one
CID 110297793
N-[3-(diethylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 42783231
3-[benzyl(methyl)amino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109020605
N-(furan-2-ylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide
CID 1031541
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 42783180
3-[2-(4-fluorophenyl)ethylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109025121
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-methoxyphenoxy)ethyl-methylamino]ethanone
CID 78795589
(4-fluorophenyl)methyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-methylazanium
CID 8593037
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 4253083
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779414
5-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one
CID 110297855
N-benzyl-N-[3-(4-carbamoylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide
CID 1031586

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide (CID 42783239) is N-[(4-fluorophenyl)methyl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide is COc1ccc(N2CCN(C(=O)CCN(Cc3ccc(F)cc3)C(=O)c3cnccn3)CC2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide?
The InChIKey is VGJJUDQHHALWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O3/c1-35-23-8-6-22(7-9-23)30-14-16-31(17-15-30)25(33)10-13-32(19-20-2-4-21(27)5-3-20)26(34)24-18-28-11-12-29-24/h2-9,11-12,18H,10,13-17,19H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 3.01, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide is sourced from PubChem (CID 42783239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).