4-(4-methylphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]piperidine-4-carboxamide;hydrochloride

C19H25ClN4O2 — CID 154897274

IUPAC4-(4-methylphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCc1ccc(OC2(C(=O)NCc3cnc(C)cn3)CCNCC2)cc1.Cl
InChIInChI=1S/C19H24N4O2.ClH/c1-14-3-5-17(6-4-14)25-19(7-9-20-10-8-19)18(24)23-13-16-12-21-15(2)11-22-16;/h3-6,11-12,20H,7-10,13H2,1-2H3,(H,23,24);1H
InChIKeyIJGXKXMOIRUUJV-UHFFFAOYSA-N
MW376.89 g/mol
LogP2.33
Rot. Bonds5

About 4-(4-methylphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]piperidine-4-carboxamide;hydrochloride

4-(4-methylphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 154897274) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(4-methylphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID154897274
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name4-(4-methylphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCc1ccc(OC2(C(=O)NCc3cnc(C)cn3)CCNCC2)cc1.Cl
InChIInChI=1S/C19H24N4O2.ClH/c1-14-3-5-17(6-4-14)25-19(7-9-20-10-8-19)18(24)23-13-16-12-21-15(2)11-22-16;/h3-6,11-12,20H,7-10,13H2,1-2H3,(H,23,24);1H
InChIKeyIJGXKXMOIRUUJV-UHFFFAOYSA-N
XLogP2.33
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride
CID 154895653
4-(4-methylphenoxy)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-4-carboxamide
CID 50972805
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(4-methylphenoxy)piperidine-4-carboxamide
CID 70757967
1-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]cycloheptane-1-carboxamide
CID 62845577
4-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
CID 50980610
4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 119861868
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride
CID 154897322
N-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 63006041
N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4-(4-methylphenoxy)piperidine-4-carboxamide
CID 95127349
2-amino-2-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 106312354
2-(4-cyanophenoxy)-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 62847779
(5-methylpyrazin-2-yl)methylurea
CID 62845946

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-(4-methylphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]piperidine-4-carboxamide;hydrochloride (CID 154897274) is 4-(4-methylphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(4-methylphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(4-methylphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]piperidine-4-carboxamide;hydrochloride is Cc1ccc(OC2(C(=O)NCc3cnc(C)cn3)CCNCC2)cc1.Cl.
What is the InChIKey of 4-(4-methylphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is IJGXKXMOIRUUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.ClH/c1-14-3-5-17(6-4-14)25-19(7-9-20-10-8-19)18(24)23-13-16-12-21-15(2)11-22-16;/h3-6,11-12,20H,7-10,13H2,1-2H3,(H,23,24);1H.
What are the key properties of 4-(4-methylphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]piperidine-4-carboxamide;hydrochloride?
4-(4-methylphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 376.89 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 154897274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).