N-[3-[(2R)-1-[6-(3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]piperidine-3-carboxamide

C26H30N4O2 — CID 161108971

IUPACN-[3-[(2R)-1-[6-(3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]piperidine-3-carboxamide
SMILESCOc1cccc(-c2cncc(C[C@@H](C)c3cccc(NC(=O)C4CCCNC4)c3)n2)c1
InChIInChI=1S/C26H30N4O2/c1-18(12-23-16-28-17-25(29-23)20-7-4-10-24(14-20)32-2)19-6-3-9-22(13-19)30-26(31)21-8-5-11-27-15-21/h3-4,6-7,9-10,13-14,16-18,21,27H,5,8,11-12,15H2,1-2H3,(H,30,31)/t18-,21?/m1/s1
InChIKeyUJLDOCUXTMUEFB-ITUIMRKVSA-N
MW430.55 g/mol
LogP4.44
Rot. Bonds7

About N-[3-[(2R)-1-[6-(3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]piperidine-3-carboxamide

N-[3-[(2R)-1-[6-(3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]piperidine-3-carboxamide (PubChem CID 161108971) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[3-[(2R)-1-[6-(3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R)-1-[6-(3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]piperidine-3-carboxamide
PubChem CID161108971
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-[3-[(2R)-1-[6-(3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]piperidine-3-carboxamide
SMILESCOc1cccc(-c2cncc(C[C@@H](C)c3cccc(NC(=O)C4CCCNC4)c3)n2)c1
InChIInChI=1S/C26H30N4O2/c1-18(12-23-16-28-17-25(29-23)20-7-4-10-24(14-20)32-2)19-6-3-9-22(13-19)30-26(31)21-8-5-11-27-15-21/h3-4,6-7,9-10,13-14,16-18,21,27H,5,8,11-12,15H2,1-2H3,(H,30,31)/t18-,21?/m1/s1
InChIKeyUJLDOCUXTMUEFB-ITUIMRKVSA-N
XLogP4.44
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(1S)-1-[[6-(3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]piperidine-3-carboxamide
CID 59331665
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 43707323
N-[3-(3-methylbutoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306015
3-[(2-chloroacetyl)amino]-N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]benzamide
CID 158405433
(3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide
CID 81123662
N-[1-(3-acetamidophenyl)ethyl]piperidine-3-carboxamide
CID 60981088
N-[3-(propan-2-yloxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306298
N-[3-[3-(dimethylamino)propoxy]phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119885790
N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 156839204
(3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide
CID 81123295
N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119303125
N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119291452

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-1-[6-(3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]piperidine-3-carboxamide?
The IUPAC name of N-[3-[(2R)-1-[6-(3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]piperidine-3-carboxamide (CID 161108971) is N-[3-[(2R)-1-[6-(3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[3-[(2R)-1-[6-(3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[3-[(2R)-1-[6-(3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]piperidine-3-carboxamide is COc1cccc(-c2cncc(C[C@@H](C)c3cccc(NC(=O)C4CCCNC4)c3)n2)c1.
What is the InChIKey of N-[3-[(2R)-1-[6-(3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]piperidine-3-carboxamide?
The InChIKey is UJLDOCUXTMUEFB-ITUIMRKVSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-18(12-23-16-28-17-25(29-23)20-7-4-10-24(14-20)32-2)19-6-3-9-22(13-19)30-26(31)21-8-5-11-27-15-21/h3-4,6-7,9-10,13-14,16-18,21,27H,5,8,11-12,15H2,1-2H3,(H,30,31)/t18-,21?/m1/s1.
What are the key properties of N-[3-[(2R)-1-[6-(3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]piperidine-3-carboxamide?
N-[3-[(2R)-1-[6-(3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]piperidine-3-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-1-[6-(3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 161108971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).