N-[[4-(dimethylamino)phenyl]methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide

C26H31N5O2 — CID 46392089

IUPACN-[[4-(dimethylamino)phenyl]methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(Oc2nccnc2N2CCC(C(=O)NCc3ccc(N(C)C)cc3)CC2)cc1
InChIInChI=1S/C26H31N5O2/c1-19-4-10-23(11-5-19)33-26-24(27-14-15-28-26)31-16-12-21(13-17-31)25(32)29-18-20-6-8-22(9-7-20)30(2)3/h4-11,14-15,21H,12-13,16-18H2,1-3H3,(H,29,32)
InChIKeyLPVRVHSPDVJWDS-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.18
Rot. Bonds7

About N-[[4-(dimethylamino)phenyl]methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide (PubChem CID 46392089) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
PubChem CID46392089
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(Oc2nccnc2N2CCC(C(=O)NCc3ccc(N(C)C)cc3)CC2)cc1
InChIInChI=1S/C26H31N5O2/c1-19-4-10-23(11-5-19)33-26-24(27-14-15-28-26)31-16-12-21(13-17-31)25(32)29-18-20-6-8-22(9-7-20)30(2)3/h4-11,14-15,21H,12-13,16-18H2,1-3H3,(H,29,32)
InChIKeyLPVRVHSPDVJWDS-UHFFFAOYSA-N
XLogP4.18
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethylphenyl)methyl]-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
CID 46392153
N-[(4-methylphenyl)methyl]-4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]oxybenzamide
CID 46394298
N-(3-methoxypropyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392077
N-[3-[cyclohexyl(methyl)amino]propyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392086
N-(1,3-benzodioxol-5-ylmethyl)-1-[3-(4-ethylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834330
N-[(4-bromophenyl)methyl]-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834243
1-[3-(3-methoxyphenoxy)pyrazin-2-yl]-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide
CID 50834328
N-[[4-(dimethylamino)phenyl]methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166161
(3S)-N-[(3-chlorophenyl)methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050366
N-[[4-(dimethylamino)phenyl]methyl]-1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 46364310
[1-[3-(4-ethylphenoxy)pyrazin-2-yl]piperidin-4-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 50834314
N-(2,4-difluorophenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392060

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide (CID 46392089) is N-[[4-(dimethylamino)phenyl]methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide is Cc1ccc(Oc2nccnc2N2CCC(C(=O)NCc3ccc(N(C)C)cc3)CC2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The InChIKey is LPVRVHSPDVJWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-19-4-10-23(11-5-19)33-26-24(27-14-15-28-26)31-16-12-21(13-17-31)25(32)29-18-20-6-8-22(9-7-20)30(2)3/h4-11,14-15,21H,12-13,16-18H2,1-3H3,(H,29,32).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide has a molecular weight of 445.57 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46392089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).