N-[3-[cyclohexyl(methyl)amino]propyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide

C27H39N5O2 — CID 46392086

IUPACN-[3-[cyclohexyl(methyl)amino]propyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(Oc2nccnc2N2CCC(C(=O)NCCCN(C)C3CCCCC3)CC2)cc1
InChIInChI=1S/C27H39N5O2/c1-21-9-11-24(12-10-21)34-27-25(28-16-17-30-27)32-19-13-22(14-20-32)26(33)29-15-6-18-31(2)23-7-4-3-5-8-23/h9-12,16-17,22-23H,3-8,13-15,18-20H2,1-2H3,(H,29,33)
InChIKeyLALVWAZTJMONPJ-UHFFFAOYSA-N
MW465.64 g/mol
LogP4.56
Rot. Bonds9

About N-[3-[cyclohexyl(methyl)amino]propyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide

N-[3-[cyclohexyl(methyl)amino]propyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide (PubChem CID 46392086) has the molecular formula C27H39N5O2 and a molecular weight of 465.64 g/mol. Its IUPAC name is N-[3-[cyclohexyl(methyl)amino]propyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[cyclohexyl(methyl)amino]propyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
PubChem CID46392086
Molecular FormulaC27H39N5O2
Molecular Weight465.64 g/mol
Exact Mass465.31
IUPAC NameN-[3-[cyclohexyl(methyl)amino]propyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(Oc2nccnc2N2CCC(C(=O)NCCCN(C)C3CCCCC3)CC2)cc1
InChIInChI=1S/C27H39N5O2/c1-21-9-11-24(12-10-21)34-27-25(28-16-17-30-27)32-19-13-22(14-20-32)26(33)29-15-6-18-31(2)23-7-4-3-5-8-23/h9-12,16-17,22-23H,3-8,13-15,18-20H2,1-2H3,(H,29,33)
InChIKeyLALVWAZTJMONPJ-UHFFFAOYSA-N
XLogP4.56
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392077
N-[[4-(dimethylamino)phenyl]methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392089
N-[3-[cyclohexyl(methyl)amino]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384789
N-cycloheptyl-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834297
N-(2,4-difluorophenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392060
N-(4-fluoro-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834660
N-[(4-methylphenyl)methyl]-4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]oxybenzamide
CID 46394298
N-[3-[cyclohexyl(methyl)amino]propyl]-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide
CID 53062510
N-[(4-ethylphenyl)methyl]-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
CID 46392153
(3S)-N-pentyl-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050441
(3R)-N-[(2-chlorophenyl)methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050375
N-(1,3-benzodioxol-5-ylmethyl)-1-[3-(4-ethylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834330

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide (CID 46392086) is N-[3-[cyclohexyl(methyl)amino]propyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-[cyclohexyl(methyl)amino]propyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-[cyclohexyl(methyl)amino]propyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide is Cc1ccc(Oc2nccnc2N2CCC(C(=O)NCCCN(C)C3CCCCC3)CC2)cc1.
What is the InChIKey of N-[3-[cyclohexyl(methyl)amino]propyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The InChIKey is LALVWAZTJMONPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N5O2/c1-21-9-11-24(12-10-21)34-27-25(28-16-17-30-27)32-19-13-22(14-20-32)26(33)29-15-6-18-31(2)23-7-4-3-5-8-23/h9-12,16-17,22-23H,3-8,13-15,18-20H2,1-2H3,(H,29,33).
What are the key properties of N-[3-[cyclohexyl(methyl)amino]propyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
N-[3-[cyclohexyl(methyl)amino]propyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide has a molecular weight of 465.64 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclohexyl(methyl)amino]propyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46392086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).