[4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone

C23H26N4O2 — CID 175304548

IUPAC[4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNC1=NC=C(c2ccc(C(=O)N3CCC(CO)CC3)cc2)N(c2ccccc2)C1
InChIInChI=1S/C23H26N4O2/c24-22-15-27(20-4-2-1-3-5-20)21(14-25-22)18-6-8-19(9-7-18)23(29)26-12-10-17(16-28)11-13-26/h1-9,14,17,28H,10-13,15-16H2,(H2,24,25)
InChIKeyOEHNYQOMJJCBDS-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.71
Rot. Bonds4

About [4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone

[4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 175304548) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is [4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID175304548
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name[4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNC1=NC=C(c2ccc(C(=O)N3CCC(CO)CC3)cc2)N(c2ccccc2)C1
InChIInChI=1S/C23H26N4O2/c24-22-15-27(20-4-2-1-3-5-20)21(14-25-22)18-6-8-19(9-7-18)23(29)26-12-10-17(16-28)11-13-26/h1-9,14,17,28H,10-13,15-16H2,(H2,24,25)
InChIKeyOEHNYQOMJJCBDS-UHFFFAOYSA-N
XLogP2.71
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 174834148
[4-(3-fluorophenyl)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 71032297
(4-aminopiperidin-1-yl)-[4-(1-phenyltetrazol-5-yl)phenyl]methanone
CID 121495789
[3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 119486906
(4-phenylphenyl)-[4-(1,2,4-triazol-4-ylmethyl)piperidin-1-yl]methanone
CID 136549797
(3-amino-4-chlorophenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43133119
(3-amino-4-bromophenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 61092791
[4-[(E)-4-hydroxybut-2-enyl]piperidin-1-yl]-phenylmethanone
CID 11021598
[4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride
CID 154905790
(4-aminophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone;hydrochloride
CID 119698759
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
[4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 43133362

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone (CID 175304548) is [4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone is NC1=NC=C(c2ccc(C(=O)N3CCC(CO)CC3)cc2)N(c2ccccc2)C1.
What is the InChIKey of [4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is OEHNYQOMJJCBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c24-22-15-27(20-4-2-1-3-5-20)21(14-25-22)18-6-8-19(9-7-18)23(29)26-12-10-17(16-28)11-13-26/h1-9,14,17,28H,10-13,15-16H2,(H2,24,25).
What are the key properties of [4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
[4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 390.49 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 175304548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).